[(1S,2R,4aR,6aS,6aS,8aS,10R,12aS,13R,14aS,14bR)-1,2,4a,6a,9,9,12a,14a-octamethyl-10-oxidanyl-12-oxidanylidene-1,2,3,4,5,6,6a,8,8a,10,11,13,14,14b-tetradecahydropicen-13-yl] 3-methoxy-4-oxidanyl-benzoate

Systemtic Name: [(1S,2R,4aR,6aS,6aS,8aS,10R,12aS,13R,14aS,14bR)-1,2,4a,6a,9,9,12a,14a-octamethyl-10-oxidanyl-12-oxidanylidene-1,2,3,4,5,6,6a,8,8a,10,11,13,14,14b-tetradecahydropicen-13-yl] 3-methoxy-4-oxidanyl-benzoate Openeye Name: [(1S,2R,4aR,6aS,6aS,8aS,10R,12aS,13R,14aS,14bR)-10-hydroxy-1,2,4a,6a,9,9,12a,14a-octamethyl-12-oxo-1,2,3,4,5,6,6a,8,8a,10,11,13,14,14b-tetradecahydropicen-13-yl] 4-hydroxy-3-methoxy-benzoate CAS Name: 4-hydroxy-3-methoxybenzoic acid [(1S,2R,4aR,6aS,6aS,8aS,10R,12aS,13R,14aS,14bR)-10-hydroxy-1,2,4a,6a,9,9,12a,14a-octamethyl-12-oxo-1,2,3,4,5,6,6a,8,8a,10,11,13,14,14b-tetradecahydropicen-13-yl] ester IUPAC Name: [(1S,2R,4aR,6aS,6aS,8aS,10R,12aS,13R,14aS,14bR)-10-hydroxy-1,2,4a,6a,9,9,12a,14a-octamethyl-12-oxo-1,2,3,4,5,6,6a,8,8a,10,11,13,14,14b-tetradecahydropicen-13-yl] 4-hydroxy-3-methoxybenzoate Traditional Name: 4-hydroxy-3-methoxy-benzoic acid [(1S,2R,4aR,6aS,6aS,8aS,10R,12aS,13R,14aS,14bR)-10-hydroxy-12-keto-1,2,4a,6a,9,9,12a,14a-octamethyl-1,2,3,4,5,6,6a,8,8a,10,11,13,14,14b-tetradecahydropicen-13-yl] ester Formula: C38H54O6 MolecularWeight: 606.83176

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(CCC3(C4=CCC5C(C(CC(=O)C5(C4C(CC3(C2C1C)C)OC(=O)C6=CC(=C(C=C6)O)OC)C)O)(C)C)C)C

Isomeric SMILES

C[C@@H]1CC[C@@]2(CC[C@@]3(C4=CC[C@@H]5[C@@]([C@H]4[C@@H](C[C@]3([C@@H]2[C@H]1C)C)OC(=O)C6=CC(=C(C=C6)O)OC)(C(=O)C[C@H](C5(C)C)O)C)C)C

InChI

InChI=1S/C38H54O6/c1-21-14-15-35(5)16-17-36(6)24-11-13-28-34(3,4)29(40)19-30(41)38(28,8)31(24)27(20-37(36,7)32(35)22(21)2)44-33(42)23-10-12-25(39)26(18-23)43-9/h10-12,18,21-22,27-29,31-32,39-40H,13-17,19-20H2,1-9H3/t21-,22+,27-,28+,29-,31-,32-,35-,36-,37+,38-/m1/s1