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

Systemtic Name: [(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3-acetyloxy-17-[(2R)-5-methoxy-5-oxidanylidene-pentan-2-yl]-10,13-dimethyl-7-[(2S)-2-oxidanyl-2-phenyl-ethanoyl]oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl] naphthalene-2-carboxylate Openeye Name: [(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3-acetoxy-7-[(2S)-2-hydroxy-2-phenyl-acetyl]oxy-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-12-yl] naphthalene-2-carboxylate CAS Name: 2-naphthalenecarboxylic acid [(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3-acetyloxy-7-[(2S)-2-hydroxy-1-oxo-2-phenylethoxy]-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-12-yl] ester IUPAC Name: [(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3-acetyloxy-7-[(2S)-2-hydroxy-2-phenylacetyl]oxy-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-12-yl] naphthalene-2-carboxylate Traditional Name: naphthalene-2-carboxylic acid [(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3-acetoxy-7-[(2S)-2-hydroxy-2-phenyl-acetyl]oxy-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-12-yl] ester Formula: C46H56O9 MolecularWeight: 752.93144

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)OC(=O)C)C)OC(=O)C(C5=CC=CC=C5)O)OC(=O)C6=CC7=CC=CC=C7C=C6)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)OC(=O)C)C)OC(=O)[C@H](C5=CC=CC=C5)O)OC(=O)C6=CC7=CC=CC=C7C=C6)C

InChI

InChI=1S/C46H56O9/c1-27(15-20-40(48)52-5)35-18-19-36-41-37(26-39(46(35,36)4)55-43(50)32-17-16-29-11-9-10-14-31(29)23-32)45(3)22-21-34(53-28(2)47)24-33(45)25-38(41)54-44(51)42(49)30-12-7-6-8-13-30/h6-14,16-17,23,27,33-39,41-42,49H,15,18-22,24-26H2,1-5H3/t27-,33+,34-,35-,36+,37+,38-,39+,41+,42+,45+,46-/m1/s1