Molecules/(3S,5R,6R,8S,9S,10R,13S,14S)-10,13-Dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,5,6-triol
(3S,5R,6R,8S,9S,10R,13S,14S)-10,13-Dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,5,6-triol
(3S,5R,6R,8S,9S,10R,13S,14S)-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol
Molecular Identity
(3S,5R,6R,8S,9S,10R,13S,14S)-10,13-Dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,5,6-triol
(3S,5R,6R,8S,9S,10R,13S,14S)-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol
PubChem CID: 53232379
2D Structure
Properties
C19H32O3
Molecular Formula
308.50
Molecular Weight
g/mol
308.2351
Exact Mass
Da
3.5
XLogP
Drug-like (Lipinski: < 5)
60.7
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
3
H-Bond Acceptors
466
Complexity
SMILES
Canonical SMILES
SMILES: CC12CCCC1C3CC(C4(CC(CCC4(C3CC2)C)O)O)OIsomeric SMILES
SMILES: C[C@@]12CCC[C@H]1[C@@H]3C[C@H]([C@]4(C[C@H](CC[C@@]4([C@H]3CC2)C)O)O)OSynonyms(20)
4725-51-3(3S,5R,6R,8S,9S,10R,13S,14S)-10,13-Dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,5,6-triolAnnaosanchunYC-6Annaosanchun(YC-6)5|A-Androstane-3|A,5,6|A-triol(3beta,5alpha,6beta)-Androstane-3,5,6-triol(3S,5R,6R,8S,9S,10R,13S,14S)-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol5alpha-Androstane-3beta,5,6beta-triolAndrostane-3,5,6-triol,(3,5,6)-(9CI)5-Androstane-3,5,6-triolorb1306945SCHEMBL16443813EX-A477AKOS024463786
Data from PubChem (NCBI)
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Molecular Structure
(3S,5R,6R,8S,9S,10R,13S,14S)-10,13-Dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,5,6-triol
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Drug Network
Trials and conditions connected to (3S,5R,6R,8S,9S,10R,13S,14S)-10,13-Dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,5,6-triol
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