6Alpha-Oxycodol N-oxide [A crystalline solid]
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- structure.search.product.name 6Alpha-Oxycodol N-oxide [A crystalline solid]
- Product Code: CAY-21539
- Brand: Cayman Chemical
Product Overview
Product Code
CAY-21539
CAS Number
2 AnalytesProduct Format
Neat
Product Categories
Product Type
MetaboliteDocumentation
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Product Information
Analyte Data
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6 alpha-Oxycodol N-oxide
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H23 N O5
Molecular Weight
333.379
Accurate Mass
333.158
SMILES
COc1ccc2C[C@@H]3[C@]4(O)CC[C@H](O)[C@@H]5Oc1c2[C@]45CC[N+]3(C)[O-]
InChI
InChI=1S/C18H23NO5/c1-19(22)8-7-17-14-10-3-4-12(23-2)15(14)24-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,11,13,16,20-21H,5-9H2,1-2H3/t11-,13+,16-,17-,18+,19?/m0/s1
IUPAC
(4R,4aS,7S,7aR,12bS)-9-methoxy-3-methyl-3-oxido-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-3-ium-4a,7-diol
6 alpha-Oxycodol N-oxide
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H23 N O5
Molecular Weight
333.379
Accurate Mass
333.158
SMILES
COc1ccc2C[C@@H]3[C@]4(O)CC[C@H](O)[C@@H]5Oc1c2[C@]45CC[N+]3(C)[O-]
InChI
InChI=1S/C18H23NO5/c1-19(22)8-7-17-14-10-3-4-12(23-2)15(14)24-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,11,13,16,20-21H,5-9H2,1-2H3/t11-,13+,16-,17-,18+,19?/m0/s1
IUPAC
(4R,4aS,7S,7aR,12bS)-9-methoxy-3-methyl-3-oxido-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-3-ium-4a,7-diol
Product Data
Storage Temperature
-20°C
Shipping Temperature
-20°C
Country of Origin
UNITED STATES
Product Type
Metabolite
Product Format
Neat