22,29-Epoxy-3,29-dihydroxy-14alpha-stigmastan-15-one

HCID 53902136
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Basic information

Standard SMILES
CC(C)[C@@H]1CC(O)OC([C@@H](C)[C@H]2CC(=O)[C@H]3[C@@H]4CCC5CC(O)CC[C@]5(C)[C@H]4CC[C@]23C)C1
InChIKey
HXVSYYIMYVZVMR-PTVMDKHFSA-N
Molecular formula
C29H48O4
Average molar mass
460.7 g/mol

Names & identifiers

Preferred name
22,29-Epoxy-3,29-dihydroxy-14alpha-stigmastan-15-one
IUPAC
(8R,9S,10S,13R,14S,17R)-3-hydroxy-17-[(1S)-1-[(4S)-6-hydroxy-4-propan-2-yloxan-2-yl]ethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,16,17-tetradecahydrocyclopenta[a]phenanthren-15-one

Names & synonyms

SCHEMBL5980429HXVSYYIMYVZVMR-PTVMDKHFSA-N22,29-epoxy-3,29-dihydroxy-14alpha-stigmastan-15-one

Database identifiers

PubChem CID
53902136

Properties

Computed structural properties

XLogP
6.3
Topological polar surface area
66.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
33

Related reactions

4 records
New reaction record

Compound notes

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