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Structure

11B-HYDROXYETIOCHOLANOLONE GLUCURONIDE

CAS
17181-15-6
Catalog Number
ACM17181156
Category
Other Products
Molecular Weight
482.563820 [g/mol]
Molecular Formula
C25H38O9

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Specification

Synonyms
NSC113097, AC1L6OZ5, Etiocholanolone, 3-glucuronide, NSC113098, 11|A-Hydroxyetiocholanolone glucuronide, NSC-113097, NSC-113098, Androsterone 11.beta.-hydroxy-, 3-glucuronide, 11|A-Hydroxyandrosterone glucuronide sodium salt, 5|A-Androstane-3|A,11|A-diol-17-one 3-glucuronide, 3|A,11|A-Dihydroxy-5|A-androstan-17-one 3-glucuronide, 17181-15-6, 3,4,5-trihydroxy-6-[(11-hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl)oxy]oxane-2-carboxylic acid, 35259-60-0
IUPAC Name
3,4,5-trihydroxy-6-[(11-hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl)oxy]oxane-2-carboxylic acid
Canonical SMILES
CC12CCC(CC1CCC3C2C(CC4(C3CCC4=O)C)O)OC5C(C(C(C(O5)C(=O)O)O)O)O
InChI Key
BRPLOVMHAFXVOQ-UHFFFAOYSA-N
H-Bond Acceptor
9
H-Bond Donor
5
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