(3S,5R,6R,7R,8R,9S,10R,13S,14S,15S,16S)-Octadecahydro-3,5-dihydroxy-10,13-dimethyl-17H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthren-17-one
Properties
- Molecular formula
- C21H30O3
- Molar mass
- 330.47 g/mol
- Exact mass
- 330.2195 Da
- logP
- 2.79Crippen estimate
- Polar surface area
- 57.5 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 0
- Stereocentres
- S, S, R, R, R, R, S, R, S, S, Sin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
82543-16-6SMILES
C[C@]12CC[C@H]3[C@@H]([C@H]4C[C@H]4[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1C2=OInChIKey
GWUFXQIQXPASJU-VJWUOOCFSA-NInChI
InChI=1S/C21H30O3/c1-19-5-4-14-16(17(19)11-7-12(11)18(19)23)13-8-15(13)21(24)9-10(22)3-6-20(14,21)2/h10-17,22,24H,3-9H2,1-2H3/t10-,11+,12-,13-,14-,15+,16+,17-,19-,20+,21+/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 17H-Dicyclopropa[6,7:15,16]cyclopenta[a]phenanthren-17-one, octadecahydro-3,5-dihydroxy-10,13-dimethyl-, (3S,5R,6R,7R,8R,9S,10R,13S,14S,15S,16S)-
- 17H-Dicyclopropa[6,7:15,16]cyclopenta[a]phenanthren-17-one, octadecahydro-3,5-dihydroxy-10,13-dimethyl-, [3S-(3α,5α,6β,7β,8α,9β,10α,13α,14β,15β,16β)]-
- 6β,7β;15β,16β-Dimethylene-3β,5β-dihydroxyandostan-17-one
- 3β,5β-Dihydroxy-6β,7β;15β,16β-dimethylene-5β-androst-17-one
Work with (3S,5R,6R,7R,8R,9S,10R,13S,14S,15S,16S)-Octadecahydro-3,5-dihydroxy-10,13-dimethyl-17H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthren-17-one
Similar compounds
17-Hydroxypregnenolone387-79-135 % similar
Methandriol521-10-834 % similar
Periplogenin514-39-634 % similar
16α,17α-Epoxypregnenolone974-23-233 % similar
Drospirenone67392-87-432 % similar
Epiandrosterone481-29-832 % similar
Androsterone53-41-832 % similar
Etiocholanolone53-42-932 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.