[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-12-acetyloxy-17-[(2R)-5-methoxy-5-oxidanylidene-pentan-2-yl]-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl] naphthalene-2-carboxylate

Systemtic Name: [(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-12-acetyloxy-17-[(2R)-5-methoxy-5-oxidanylidene-pentan-2-yl]-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl] naphthalene-2-carboxylate Openeye Name: [(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-12-acetoxy-3-hydroxy-17-[(1R)-4-methoxy-1-methyl-4-oxo-butyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl] naphthalene-2-carboxylate CAS Name: 2-naphthalenecarboxylic acid [(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-12-acetyloxy-3-hydroxy-17-[(2R)-5-methoxy-5-oxopentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl] ester IUPAC Name: [(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-12-acetyloxy-3-hydroxy-17-[(2R)-5-methoxy-5-oxopentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl] naphthalene-2-carboxylate Traditional Name: naphthalene-2-carboxylic acid [(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-12-acetoxy-3-hydroxy-17-[(1R)-4-keto-4-methoxy-1-methyl-butyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl] ester Formula: C38H50O7 MolecularWeight: 618.7994

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)OC(=O)C5=CC6=CC=CC=C6C=C5)OC(=O)C)C

Isomeric SMILES

C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@H](C4)O)C)OC(=O)C5=CC6=CC=CC=C6C=C5)OC(=O)C)C

InChI

InChI=1S/C38H50O7/c1-22(10-15-34(41)43-5)29-13-14-30-35-31(21-33(38(29,30)4)44-23(2)39)37(3)17-16-28(40)19-27(37)20-32(35)45-36(42)26-12-11-24-8-6-7-9-25(24)18-26/h6-9,11-12,18,22,27-33,35,40H,10,13-17,19-21H2,1-5H3/t22-,27-,28-,29-,30+,31+,32-,33+,35+,37+,38-/m1/s1