Molecule ID: 443979

IUPAC Name: [(3S,8R,9S,10R,13S,14S,17S)-13-methyl-17-propanoyloxy-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] propanoate

Description: The molecule is a steroid ester resulting from the formal condensation of the carboxy group of propanoic acid with the 3beta and 17beta hydroxy groups of bolandiol. It is a diester, an anabolic androgenic steroid and a steroid ester. It derives from a bolandiol.

SMILES: CCC(=O)O[C@@H]1C=C2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](OC(=O)CC)CC[C@@H]34)[C@H]2CC1

SELFIES: [C][C][C][=Branch1][C][=O][O][C@@H1][C][=C][C][C][C@@H1][C@H1][Branch2][Ring1][Branch2][C][C][C@][Branch1][C][C][C@@H1][Branch1][Branch2][O][C][=Branch1][C][=O][C][C][C][C][C@@H1][Ring1][#C][Ring1][O][C@H1][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][#Branch1]

InChI: InChI=1S/C24H36O4/c1-4-22(25)27-16-7-9-17-15(14-16)6-8-19-18(17)12-13-24(3)20(19)10-11-21(24)28-23(26)5-2/h14,16-21H,4-13H2,1-3H3/t16-,17-,18+,19+,20-,21-,24-/m0/s1

Molecular Properties:
- Polar Surface Area: 52.6 Ų
- LogP: 5.0