1-[(2S,4aR,4bR,10aR,10bS,12aS)-12a-methoxy-10a-methyl-4a-oxidanyl-8-oxidanylidene-1,2,3,4,4b,5,6,9,10,10b,11,12-dodecahydrochrysen-2-yl]ethyl ethanoate

Systemtic Name: 1-[(2S,4aR,4bR,10aR,10bS,12aS)-12a-methoxy-10a-methyl-4a-oxidanyl-8-oxidanylidene-1,2,3,4,4b,5,6,9,10,10b,11,12-dodecahydrochrysen-2-yl]ethyl ethanoate Openeye Name: 1-[(2S,4aR,4bR,10aR,10bS,12aS)-4a-hydroxy-12a-methoxy-10a-methyl-8-oxo-1,2,3,4,4b,5,6,9,10,10b,11,12-dodecahydrochrysen-2-yl]ethyl acetate CAS Name: acetic acid 1-[(2S,4aR,4bR,10aR,10bS,12aS)-4a-hydroxy-12a-methoxy-10a-methyl-8-oxo-1,2,3,4,4b,5,6,9,10,10b,11,12-dodecahydrochrysen-2-yl]ethyl ester IUPAC Name: 1-[(2S,4aR,4bR,10aR,10bS,12aS)-4a-hydroxy-12a-methoxy-10a-methyl-8-oxo-1,2,3,4,4b,5,6,9,10,10b,11,12-dodecahydrochrysen-2-yl]ethyl acetate Traditional Name: acetic acid 1-[(2S,4aR,4bR,10aR,10bS,12aS)-4a-hydroxy-8-keto-12a-methoxy-10a-methyl-1,2,3,4,4b,5,6,9,10,10b,11,12-dodecahydrochrysen-2-yl]ethyl ester Formula: C24H36O5 MolecularWeight: 404.53964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC2(C3CCC4=CC(=O)CCC4(C3CCC2(C1)OC)C)O)OC(=O)C

Isomeric SMILES

CC([C@H]1CC[C@]2([C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC[C@@]2(C1)OC)C)O)OC(=O)C

InChI

InChI=1S/C24H36O5/c1-15(29-16(2)25)17-7-12-24(27)21-6-5-18-13-19(26)8-10-22(18,3)20(21)9-11-23(24,14-17)28-4/h13,15,17,20-21,27H,5-12,14H2,1-4H3/t15?,17-,20-,21+,22-,23-,24+/m0/s1