[(2S,4aR,4bR,6aS,10aR,10bR,12aR)-1,1,4a,10a,10b-pentamethyl-8-(4-methyl-3-oxidanylidene-pentyl)-7-oxidanylidene-3,4,4b,5,6,6a,8,9,10,11,12,12a-dodecahydro-2H-chrysen-2-yl] ethanoate

Systemtic Name: [(2S,4aR,4bR,6aS,10aR,10bR,12aR)-1,1,4a,10a,10b-pentamethyl-8-(4-methyl-3-oxidanylidene-pentyl)-7-oxidanylidene-3,4,4b,5,6,6a,8,9,10,11,12,12a-dodecahydro-2H-chrysen-2-yl] ethanoate Openeye Name: [(2S,4aR,4bR,6aS,10aR,10bR,12aR)-1,1,4a,10a,10b-pentamethyl-8-(4-methyl-3-oxo-pentyl)-7-oxo-3,4,4b,5,6,6a,8,9,10,11,12,12a-dodecahydro-2H-chrysen-2-yl] acetate CAS Name: acetic acid [(2S,4aR,4bR,6aS,10aR,10bR,12aR)-1,1,4a,10a,10b-pentamethyl-8-(4-methyl-3-oxopentyl)-7-oxo-3,4,4b,5,6,6a,8,9,10,11,12,12a-dodecahydro-2H-chrysen-2-yl] ester IUPAC Name: [(2S,4aR,4bR,6aS,10aR,10bR,12aR)-1,1,4a,10a,10b-pentamethyl-8-(4-methyl-3-oxopentyl)-7-oxo-3,4,4b,5,6,6a,8,9,10,11,12,12a-dodecahydro-2H-chrysen-2-yl] acetate Traditional Name: acetic acid [(2S,4aR,4bR,6aS,10aR,10bR,12aR)-7-keto-8-(3-keto-4-methyl-pentyl)-1,1,4a,10a,10b-pentamethyl-3,4,4b,5,6,6a,8,9,10,11,12,12a-dodecahydro-2H-chrysen-2-yl] ester Formula: C31H50O4 MolecularWeight: 486.7263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)CCC1CCC2(C(C1=O)CCC3C2(CCC4C3(CCC(C4(C)C)OC(=O)C)C)C)C

Isomeric SMILES

CC(C)C(=O)CCC1CC[C@@]2([C@@H](C1=O)CC[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C)C)C)C

InChI

InChI=1S/C31H50O4/c1-19(2)23(33)11-9-21-13-17-30(7)22(27(21)34)10-12-25-29(6)16-15-26(35-20(3)32)28(4,5)24(29)14-18-31(25,30)8/h19,21-22,24-26H,9-18H2,1-8H3/t21?,22-,24+,25-,26+,29+,30-,31-/m1/s1