methyl (5aS,5bR,7aS,9S,11aS,11bR,13R,13aS)-5b,8,8,11a,13a-pentamethyl-13-oxidanyl-1-oxidanylidene-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3H-phenanthro[2,1-e][2]benzofuran-9-carboxylate

Systemtic Name: methyl (5aS,5bR,7aS,9S,11aS,11bR,13R,13aS)-5b,8,8,11a,13a-pentamethyl-13-oxidanyl-1-oxidanylidene-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3H-phenanthro[2,1-e][2]benzofuran-9-carboxylate Openeye Name: methyl (5aS,5bR,7aS,9S,11aS,11bR,13R,13aS)-13-hydroxy-5b,8,8,11a,13a-pentamethyl-1-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3H-phenanthro[2,1-e]isobenzofuran-9-carboxylate CAS Name: (5aS,5bR,7aS,9S,11aS,11bR,13R,13aS)-13-hydroxy-5b,8,8,11a,13a-pentamethyl-1-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3H-phenanthro[2,1-e]isobenzofuran-9-carboxylic acid methyl ester IUPAC Name: methyl (5aS,5bR,7aS,9S,11aS,11bR,13R,13aS)-13-hydroxy-5b,8,8,11a,13a-pentamethyl-1-oxo-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3H-phenanthro[2,1-e][2]benzofuran-9-carboxylate Traditional Name: (5aS,5bR,7aS,9S,11aS,11bR,13R,13aS)-13-hydroxy-1-keto-5b,8,8,11a,13a-pentamethyl-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3H-phenanthr[2,1-e]isobenzofuran-9-carboxylic acid methyl ester Formula: C27H40O5 MolecularWeight: 444.6035

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC2(C1CCC3(C2CC(C4(C3CCC5=C4C(=O)OC5)C)O)C)C)C(=O)OC)C

Isomeric SMILES

C[C@@]12CC[C@@H]3[C@@]([C@H]1C[C@H]([C@]4([C@H]2CCC5=C4C(=O)OC5)C)O)(CC[C@@H](C3(C)C)C(=O)OC)C

InChI

InChI=1S/C27H40O5/c1-24(2)16(22(29)31-6)9-11-25(3)17(24)10-12-26(4)18-8-7-15-14-32-23(30)21(15)27(18,5)20(28)13-19(25)26/h16-20,28H,7-14H2,1-6H3/t16-,17+,18+,19-,20-,25+,26+,27-/m1/s1