[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2S)-6-methyl-2-oxidanyl-4-oxidanylidene-heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] methanoate

Systemtic Name: [(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2S)-6-methyl-2-oxidanyl-4-oxidanylidene-heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] methanoate Openeye Name: [(3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-hydroxy-1,5-dimethyl-3-oxo-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate CAS Name: formic acid [(3S,8S,9S,10R,13S,14S,17S)-17-[(2S)-2-hydroxy-6-methyl-4-oxoheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,8S,9S,10R,13S,14S,17S)-17-[(2S)-2-hydroxy-6-methyl-4-oxoheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate Traditional Name: formic acid [(3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-hydroxy-3-keto-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C28H44O4 MolecularWeight: 444.64656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)CC(C)(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC=O)C)C)O

Isomeric SMILES

CC(C)CC(=O)C[C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC=O)C)C)O

InChI

InChI=1S/C28H44O4/c1-18(2)14-20(30)16-28(5,31)25-9-8-23-22-7-6-19-15-21(32-17-29)10-12-26(19,3)24(22)11-13-27(23,25)4/h6,17-18,21-25,31H,7-16H2,1-5H3/t21-,22-,23-,24-,25-,26-,27-,28-/m0/s1