Green tea (Camellia sinensis) extract - Catechins and xanthines
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Product Information
Product Notes
LGC Limited is a Licensed Distributor of NIST Standard Reference Materials®, NIST®, STANDARD REFERENCE MATERIAL®, SRM® and depictions or representations thereof, are trademarks and service marks of the National Institute of Standards and Technology of the Department of Commerce. Please register your SRM purchase on the NIST website at www.nist.gov/srm/registration-and-surveys.
Analyte Data
Analyte Name
Concentration
CAS Number
Molecular Structure
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CAS Number
Alternate CAS Number
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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(+)-Catechin
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
C15 H14 O6
Molecular Weight
290.27
Accurate Mass
290.079
SMILES
O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3
InChI
InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
IUPAC
(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
(-)-Epicatechin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H14 O6
Molecular Weight
290.27
Accurate Mass
290.079
SMILES
O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3
InChI
InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1
IUPAC
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
(-)-Epicatechin gallate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C22 H18 O10
Molecular Weight
442.37
Accurate Mass
442.09
SMILES
Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c4ccc(O)c(O)c4
InChI
InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1
IUPAC
[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
(-)-Epigallocatechin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H14 O7
Molecular Weight
306.27
Accurate Mass
306.074
SMILES
O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3cc(O)c(O)c(O)c3
InChI
InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1
IUPAC
(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
(-)-Epigallocatechin gallate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C22 H18 O11
Molecular Weight
458.37
Accurate Mass
458.0849
SMILES
Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c4cc(O)c(O)c(O)c4
InChI
InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
IUPAC
[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
(-)-Gallocatechin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H14 O7
Molecular Weight
306.27
Accurate Mass
306.074
SMILES
O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c3cc(O)c(O)c(O)c3
InChI
InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m1/s1
IUPAC
(2S,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
(-)-Gallocatechin Gallate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C22 H18 O11
Molecular Weight
458.37
Accurate Mass
458.0849
SMILES
Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c4cc(O)c(O)c(O)c4
InChI
InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m1/s1
IUPAC
[(2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
Arsenic
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
As
Molecular Weight
74.92
Accurate Mass
74.922
SMILES
[As]
InChI
InChI=1S/As
IUPAC
arsenic
Caffeine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H10 N4 O2
Molecular Weight
194.19
Accurate Mass
194.0804
SMILES
CN1C(=O)N(C)c2ncn(C)c2C1=O
InChI
InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
IUPAC
1,3,7-trimethylpurine-2,6-dione
Lead
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
Pb
Molecular Weight
207.20
Accurate Mass
207.9766
SMILES
[Pb]
InChI
InChI=1S/Pb
IUPAC
lead
Theobromine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H8 N4 O2
Molecular Weight
180.16
Accurate Mass
180.0647
SMILES
CN1C(=O)NC(=O)c2c1ncn2C
InChI
InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
IUPAC
3,7-dimethylpurine-2,6-dione
Storage & Transport Information
Storage Temperature
Room Temperature
Shipping Temperature
Room Temperature
Country of Origin
UNITED STATES
Product Attributes
Matrix
Green tea
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