[(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxidanylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] 9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: [(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxidanylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] 9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] 9,10-dioxoanthracene-2-carboxylate CAS Name: 9,10-dioxo-2-anthracenecarboxylic acid [(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] 9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketoanthracene-2-carboxylic acid [(3S,5S,8R,9S,10S,13S,14S)-17-keto-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester Formula: C34H36O5 MolecularWeight: 524.64664

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)OC(=O)C5=CC6=C(C=C5)C(=O)C7=CC=CC=C7C6=O

Isomeric SMILES

C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)OC(=O)C5=CC6=C(C=C5)C(=O)C7=CC=CC=C7C6=O

InChI

InChI=1S/C34H36O5/c1-33-15-13-21(18-20(33)8-10-25-27-11-12-29(35)34(27,2)16-14-28(25)33)39-32(38)19-7-9-24-26(17-19)31(37)23-6-4-3-5-22(23)30(24)36/h3-7,9,17,20-21,25,27-28H,8,10-16,18H2,1-2H3/t20-,21-,25-,27-,28-,33-,34-/m0/s1