Molecule ID: 86289598

IUPAC Name: 2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3,11-dioxo-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde

Description: The molecule is a C21-steroid that is progesterone carrying two additional oxo substituents at positions 11 and 21 It is a 21-oxo steroid, an 11-oxo steroid, a 20-oxo steroid, a 3-oxo-Delta(4) steroid, a C21-steroid and a steroid aldehyde. It derives from a progesterone. It derives from a hydride of a 5alpha-pregnane.

SMILES: C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)C=O

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

InChI: InChI=1S/C21H26O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,11,14-16,19H,3-8,10H2,1-2H3/t14-,15-,16+,19+,20-,21-/m0/s1

Molecular Properties:
- Polar Surface Area: 68.3 Ų
- LogP: 2.1