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Structure

5-Beta-pregnan-3-alpha,6-alpha,21-triol-20-one

CAS
67896-70-2
Catalog Number
ACM67896702
Category
Other Products
Molecular Weight
350.49
Molecular Formula
C21H34O4

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Specification

Synonyms
5-BETA-PREGNAN-3-ALPHA, 6-ALPHA, 21-TRIOL-20-ONE
IUPAC Name
1-[(3R,5R,6S,8R,9S,10R,13S,14S,17S)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethanone
Canonical SMILES
CC12CCC3C(C1CCC2C(=O)CO)CC(C4C3(CCC(C4)O)C)O
InChI Key
XWVOZMWRTHPMOW-STXMOTMYSA-N
Exact Mass
350.24600
H-Bond Acceptor
4
H-Bond Donor
3
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