[(3S,5S,10S,13R,14S,17R)-10-methanoyl-13-methyl-5,14-bis(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-phenylethanoate

Systemtic Name: [(3S,5S,10S,13R,14S,17R)-10-methanoyl-13-methyl-5,14-bis(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-phenylethanoate Openeye Name: [(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-phenylacetate CAS Name: 2-phenylacetic acid [(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-phenylacetate Traditional Name: 2-phenylacetic acid [(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-17-(5-keto-2H-furan-3-yl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C31H38O7 MolecularWeight: 522.62922

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CCC(C5)OC(=O)CC6=CC=CC=C6)C=O)O

Isomeric SMILES

C[C@]12CCC3C([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@]5([C@@]3(CC[C@@H](C5)OC(=O)CC6=CC=CC=C6)C=O)O

InChI

InChI=1S/C31H38O7/c1-28-11-8-24-25(31(28,36)14-10-23(28)21-16-26(33)37-18-21)9-13-30(35)17-22(7-12-29(24,30)19-32)38-27(34)15-20-5-3-2-4-6-20/h2-6,16,19,22-25,35-36H,7-15,17-18H2,1H3/t22-,23+,24?,25?,28+,29-,30-,31-/m0/s1