Ph94b
(3S,8S,9S,10R,13R,14S)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular Identity
Ph94b
(3S,8S,9S,10R,13R,14S)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
PubChem CID: 9925482
2D Structure
Properties
C19H28O
Molecular Formula
272.40
Molecular Weight
g/mol
272.2140
Exact Mass
Da
4.6
XLogP
Drug-like (Lipinski: < 5)
20.2
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
1
H-Bond Acceptors
476
Complexity
SMILES
Canonical SMILES
SMILES: CC12CCC3C(C1CC=C2)CCC4=CC(CCC34C)OIsomeric SMILES
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2)CCC4=C[C@H](CC[C@]34C)OSynonyms(20)
PH94B158254-52-5RefChem:860496PH 94BFasedienol23062-06-8Androsta-4,16-dien-3-ol, (3beta)-4-androstadienolAloradineandrosta-4,16-dien-3beta-ol(3S,8S,9S,10R,13R,14S)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-olDTW1NJ7IJH(3S,8S,9S,10R,13R,14S)-10,13-Dimethyl-2,3,6,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol4,16-androstadien-3beta-ol(3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol
Data from PubChem (NCBI)
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Drug Network
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