[(16R)-17-ethanoyl-13-methyl-3-oxidanylidene-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] hexanoate

Systemtic Name: [(16R)-17-ethanoyl-13-methyl-3-oxidanylidene-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] hexanoate Openeye Name: [(16R)-17-acetyl-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] hexanoate CAS Name: hexanoic acid [(16R)-17-acetyl-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] ester IUPAC Name: [(16R)-17-acetyl-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] hexanoate Traditional Name: hexanoic acid [(16R)-17-acetyl-3-keto-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] ester Formula: C26H38O4 MolecularWeight: 414.57752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1CC2C3CCC4=CC(=O)CCC4C3CCC2(C1C(=O)C)C

Isomeric SMILES

CCCCCC(=O)O[C@@H]1CC2C3CCC4=CC(=O)CCC4C3CCC2(C1C(=O)C)C

InChI

InChI=1S/C26H38O4/c1-4-5-6-7-24(29)30-23-15-22-21-10-8-17-14-18(28)9-11-19(17)20(21)12-13-26(22,3)25(23)16(2)27/h14,19-23,25H,4-13,15H2,1-3H3/t19?,20?,21?,22?,23-,25?,26?/m1/s1