[(2R,4R,4aS,4bS,5R,6R,8aR,10R,10aR)-6,10-diacetyloxy-2-ethenyl-2,4b,8,8-tetramethyl-10a-oxidanyl-1,7-bis(oxidanylidene)-5-(phenylcarbonyloxy)-3,4,4a,5,6,8a,9,10-octahydrophenanthren-4-yl] benzoate

Systemtic Name: [(2R,4R,4aS,4bS,5R,6R,8aR,10R,10aR)-6,10-diacetyloxy-2-ethenyl-2,4b,8,8-tetramethyl-10a-oxidanyl-1,7-bis(oxidanylidene)-5-(phenylcarbonyloxy)-3,4,4a,5,6,8a,9,10-octahydrophenanthren-4-yl] benzoate Openeye Name: [(2R,4R,4aS,4bS,5R,6R,8aR,10R,10aR)-6,10-diacetoxy-5-benzoyloxy-10a-hydroxy-2,4b,8,8-tetramethyl-1,7-dioxo-2-vinyl-3,4,4a,5,6,8a,9,10-octahydrophenanthren-4-yl] benzoate CAS Name: benzoic acid [(2R,4R,4aS,4bS,5R,6R,8aR,10R,10aR)-6,10-diacetyloxy-5-benzoyloxy-2-ethenyl-10a-hydroxy-2,4b,8,8-tetramethyl-1,7-dioxo-3,4,4a,5,6,8a,9,10-octahydrophenanthren-4-yl] ester IUPAC Name: [(2R,4R,4aS,4bS,5R,6R,8aR,10R,10aR)-6,10-diacetyloxy-5-benzoyloxy-2-ethenyl-10a-hydroxy-2,4b,8,8-tetramethyl-1,7-dioxo-3,4,4a,5,6,8a,9,10-octahydrophenanthren-4-yl] benzoate Traditional Name: benzoic acid [(2R,4R,4aS,4bS,5R,6R,8aR,10R,10aR)-6,10-diacetoxy-5-benzoyloxy-10a-hydroxy-1,7-diketo-2,4b,8,8-tetramethyl-2-vinyl-3,4,4a,5,6,8a,9,10-octahydrophenanthren-4-yl] ester Formula: C38H42O11 MolecularWeight: 674.73348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC2C(C(=O)C(C(C2(C3C1(C(=O)C(CC3OC(=O)C4=CC=CC=C4)(C)C=C)O)C)OC(=O)C5=CC=CC=C5)OC(=O)C)(C)C

Isomeric SMILES

CC(=O)O[C@@H]1C[C@@H]2[C@@]([C@@H]3[C@@]1(C(=O)[C@@](C[C@H]3OC(=O)C4=CC=CC=C4)(C)C=C)O)([C@H]([C@H](C(=O)C2(C)C)OC(=O)C)OC(=O)C5=CC=CC=C5)C

InChI

InChI=1S/C38H42O11/c1-8-36(6)20-25(48-32(42)23-15-11-9-12-16-23)29-37(7)26(19-27(46-21(2)39)38(29,45)34(36)44)35(4,5)30(41)28(47-22(3)40)31(37)49-33(43)24-17-13-10-14-18-24/h8-18,25-29,31,45H,1,19-20H2,2-7H3/t25-,26+,27-,28+,29-,31+,36+,37+,38+/m1/s1