3-[6-ethyl-10,13-dimethyl-7-(2-methylpropanoyl)-17-oxidanyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate

Systemtic Name: 3-[6-ethyl-10,13-dimethyl-7-(2-methylpropanoyl)-17-oxidanyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate Openeye Name: 3-[6-ethyl-17-hydroxy-10,13-dimethyl-7-(2-methylpropanoyl)-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate CAS Name: 3-[6-ethyl-17-hydroxy-10,13-dimethyl-7-(2-methyl-1-oxopropyl)-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate IUPAC Name: 3-[6-ethyl-17-hydroxy-10,13-dimethyl-7-(2-methylpropanoyl)-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate Traditional Name: 3-(6-ethyl-17-hydroxy-7-isobutyryl-3-keto-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)propionate Formula: C28H41O5- MolecularWeight: 457.62214

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C2C(CCC3(C2CCC3(CCC(=O)[O-])O)C)C4(C1=CC(=O)CC4)C)C(=O)C(C)C

Isomeric SMILES

CCC1C(C2C(CCC3(C2CCC3(CCC(=O)[O-])O)C)C4(C1=CC(=O)CC4)C)C(=O)C(C)C

InChI

InChI=1S/C28H42O5/c1-6-18-21-15-17(29)7-11-26(21,4)19-8-12-27(5)20(24(19)23(18)25(32)16(2)3)9-13-28(27,33)14-10-22(30)31/h15-16,18-20,23-24,33H,6-14H2,1-5H3,(H,30,31)/p-1