Pharmaceutical Mixture Calibration Kit 16-0260
Product Code
O2SI-G34-140260-98-KIT
CAS Number
16 AnalytesProduct Format
Mixture
Matrix
Acetonitrile:Water 70:30 w/ 0.25% Ammonia
Product Categories
Pharmaceutical, Veterinary Compound & Metabolite Reference Materials
Product Type
Native/ParentShare product
- Product Name: Pharmaceutical Mixture Calibration Kit 16-0260
- Product Code: O2SI-G34-140260-98-KIT
- Brand: o2si
Documentation
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Product Information
Analyte Data
Analyte Name
Measured Value
CAS Number
Molecular Structure
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CAS Number
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Unlabelled CAS Number
Molecular Formula
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Molecular Weight
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Accurate Mass
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Melting Point
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Appearance/Form
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SMILES
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InChI
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IUPAC
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(-)-trans-delta8-Tetrahydrocannabinol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C21 H30 O2
Molecular Weight
314.46
Accurate Mass
314.2246
SMILES
CCCCCc1cc(O)c2[C@@H]3CC(=CC[C@H]3C(C)(C)Oc2c1)C
InChI
InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3/t16-,17-/m1/s1
IUPAC
(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
(±)-Cannabichromene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C21 H30 O2
Molecular Weight
314.46
Accurate Mass
314.2246
SMILES
CCCCCc1cc(O)c2C=CC(C)(CCC=C(C)C)Oc2c1
InChI
InChI=1S/C21H30O2/c1-5-6-7-10-17-14-19(22)18-11-13-21(4,23-20(18)15-17)12-8-9-16(2)3/h9,11,13-15,22H,5-8,10,12H2,1-4H3
IUPAC
2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol
(±)-Cannabicyclol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C21 H30 O2
Molecular Weight
314.4617
Accurate Mass
314.2245
SMILES
CCCCCc1cc(O)c2[C@@H]3[C@H]4[C@H](CC[C@@]4(C)Oc2c1)C3(C)C
InChI
InChI=1S/C21H30O2/c1-5-6-7-8-13-11-15(22)17-16(12-13)23-21(4)10-9-14-18(21)19(17)20(14,2)3/h11-12,14,18-19,22H,5-10H2,1-4H3/t14-,18+,19+,21+/m0/s1
IUPAC
(1aS,1a1R,3aR,8bR)-1,1,3a-trimethyl-6-pentyl-1a,1a1,2,3,3a,8b-hexahydro-1H-4-oxabenzo[f]cyclobuta[cd]inden-8-ol
Cannabichromenic Acid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C22H30O4
Molecular Weight
358.47
Accurate Mass
358.2144
SMILES
CCCCCc1cc2OC(C)(CCC=C(C)C)C=Cc2c(O)c1C(=O)O
InChI
InChI=1S/C22H30O4/c1-5-6-7-10-16-14-18-17(20(23)19(16)21(24)25)11-13-22(4,26-18)12-8-9-15(2)3/h9,11,13-14,23H,5-8,10,12H2,1-4H3,(H,24,25)
IUPAC
5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromene-6-carboxylic acid
Cannabidiol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C21 H30 O2
Molecular Weight
314.46
Accurate Mass
314.2246
SMILES
CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(=C)C)c(O)c1
InChI
InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1
IUPAC
2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
Cannabidiolic acid (CBDA)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C22 H30 O4
Molecular Weight
358.47
Accurate Mass
358.2144
SMILES
CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(=C)C)c(O)c1C(=O)O
InChI
InChI=1S/C22H30O4/c1-5-6-7-8-15-12-18(23)20(21(24)19(15)22(25)26)17-11-14(4)9-10-16(17)13(2)3/h11-12,16-17,23-24H,2,5-10H2,1,3-4H3,(H,25,26)/t16-,17+/m0/s1
IUPAC
2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylbenzoic acid
Cannabidivarin (CBDV)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C19 H26 O2
Molecular Weight
286.41
Accurate Mass
286.1933
SMILES
CCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(=C)C)c(O)c1
InChI
InChI=1S/C19H26O2/c1-5-6-14-10-17(20)19(18(21)11-14)16-9-13(4)7-8-15(16)12(2)3/h9-11,15-16,20-21H,2,5-8H2,1,3-4H3/t15-,16+/m0/s1
IUPAC
2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol
Cannabidivarinic Acid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C20 H26 O4
Molecular Weight
330.42
Accurate Mass
330.1831
SMILES
CCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(=C)C)c(O)c1C(=O)O
InChI
InChI=1S/C20H26O4/c1-5-6-13-10-16(21)18(19(22)17(13)20(23)24)15-9-12(4)7-8-14(15)11(2)3/h9-10,14-15,21-22H,2,5-8H2,1,3-4H3,(H,23,24)/t14-,15+/m0/s1
IUPAC
2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-propylbenzoic acid
Cannabigerol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C21 H32 O2
Molecular Weight
316.48
Accurate Mass
316.2402
SMILES
CCCCCc1cc(O)c(C\C=C(/C)\CCC=C(C)C)c(O)c1
InChI
InChI=1S/C21H32O2/c1-5-6-7-11-18-14-20(22)19(21(23)15-18)13-12-17(4)10-8-9-16(2)3/h9,12,14-15,22-23H,5-8,10-11,13H2,1-4H3/b17-12+
IUPAC
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol
Cannabigerolic acid (CBGA)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C22 H32 O4
Molecular Weight
360.49
Accurate Mass
360.2301
SMILES
CCCCCc1cc(O)c(C\C=C(/C)\CCC=C(C)C)c(O)c1C(=O)O
InChI
InChI=1S/C22H32O4/c1-5-6-7-11-17-14-19(23)18(21(24)20(17)22(25)26)13-12-16(4)10-8-9-15(2)3/h9,12,14,23-24H,5-8,10-11,13H2,1-4H3,(H,25,26)/b16-12+
IUPAC
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-pentylbenzoic acid
Cannabinol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C21 H26 O2
Molecular Weight
310.43
Accurate Mass
310.1933
SMILES
CCCCCc1cc(O)c2c(OC(C)(C)c3ccc(C)cc23)c1
InChI
InChI=1S/C21H26O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9-13,22H,5-8H2,1-4H3
IUPAC
6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol
Cannabinolic Acid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C22 H26 O4
Molecular Weight
354.44
Accurate Mass
354.1831
SMILES
CCCCCc1cc2OC(C)(C)c3ccc(C)cc3c2c(O)c1C(=O)O
InChI
InChI=1S/C22H26O4/c1-5-6-7-8-14-12-17-19(20(23)18(14)21(24)25)15-11-13(2)9-10-16(15)22(3,4)26-17/h9-12,23H,5-8H2,1-4H3,(H,24,25)
IUPAC
1-hydroxy-6,6,9-trimethyl-3-pentylbenzo[c]chromene-2-carboxylic acid
Delta9-Tetrahydrocannabinolic acid A
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C22 H30 O4
Molecular Weight
358.47
Accurate Mass
358.2144
SMILES
CCCCCc1cc2OC(C)(C)[C@@H]3CCC(=C[C@H]3c2c(O)c1C(=O)O)C
InChI
InChI=1S/C22H30O4/c1-5-6-7-8-14-12-17-19(20(23)18(14)21(24)25)15-11-13(2)9-10-16(15)22(3,4)26-17/h11-12,15-16,23H,5-10H2,1-4H3,(H,24,25)/t15-,16-/m1/s1
IUPAC
(6aR,10aR)-1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylic acid
Dronabinol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C21 H30 O2
Molecular Weight
314.46
Accurate Mass
314.2246
SMILES
CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1
InChI
InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
IUPAC
(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
Tetrahydrocannabivarin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C19 H26 O2
Molecular Weight
286.41
Accurate Mass
286.1933
SMILES
CCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1
InChI
InChI=1S/C19H26O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h9-11,14-15,20H,5-8H2,1-4H3/t14-,15-/m1/s1
IUPAC
(6aR,10aR)-6,6,9-trimethyl-3-propyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
Tetrahydrocannabivarinic Acid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C20 H26 O4
Molecular Weight
330.42
Accurate Mass
330.1831
SMILES
CCCc1cc2OC(C)(C)[C@@H]3CCC(=C[C@H]3c2c(O)c1C(=O)O)C
InChI
InChI=1S/C20H26O4/c1-5-6-12-10-15-17(18(21)16(12)19(22)23)13-9-11(2)7-8-14(13)20(3,4)24-15/h9-10,13-14,21H,5-8H2,1-4H3,(H,22,23)/t13-,14-/m1/s1
IUPAC
(6aR,10aR)-1-hydroxy-6,6,9-trimethyl-3-propyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylic acid
Product Data
Storage Temperature
-20°C
Shipping Temperature
Ice pack (-20°C)
Country of Origin
UNITED STATES
Product Format
Mixture
Matrix
Acetonitrile:Water 70:30 w/ 0.25% Ammonia
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