[(17S)-2-ethoxy-13-methyl-3-oxidanyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] butanoate

Systemtic Name: [(17S)-2-ethoxy-13-methyl-3-oxidanyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] butanoate Openeye Name: [(17S)-2-ethoxy-3-hydroxy-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] butanoate CAS Name: butanoic acid [(17S)-2-ethoxy-3-hydroxy-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(17S)-2-ethoxy-3-hydroxy-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] butanoate Traditional Name: butyric acid [(17S)-2-ethoxy-3-hydroxy-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C24H32O4 MolecularWeight: 384.50848

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1CCC2C1(CC=C3C2CCC4=CC(=C(C=C43)OCC)O)C

Isomeric SMILES

CCCC(=O)O[C@H]1CCC2C1(CC=C3C2CCC4=CC(=C(C=C43)OCC)O)C

InChI

InChI=1S/C24H32O4/c1-4-6-23(26)28-22-10-9-19-17-8-7-15-13-20(25)21(27-5-2)14-18(15)16(17)11-12-24(19,22)3/h11,13-14,17,19,22,25H,4-10,12H2,1-3H3/t17?,19?,22-,24?/m0/s1