[4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[4-[2,3-bis(oxidanylidene)butanoyloxy]-2,6,6-trimethyl-3-oxidanylidene-cyclohexen-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-2-oxidanylidene-cyclohex-3-en-1-yl] 2,3-bis(oxidanylidene)butanoate

Systemtic Name: [4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[4-[2,3-bis(oxidanylidene)butanoyloxy]-2,6,6-trimethyl-3-oxidanylidene-cyclohexen-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-2-oxidanylidene-cyclohex-3-en-1-yl] 2,3-bis(oxidanylidene)butanoate Openeye Name: [4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[4-(2,3-dioxobutanoyloxy)-2,6,6-trimethyl-3-oxo-cyclohexen-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-2-oxo-cyclohex-3-en-1-yl] 2,3-dioxobutanoate CAS Name: 2,3-dioxobutanoic acid [3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[2,6,6-trimethyl-3-oxo-4-(1,2,3-trioxobutoxy)-1-cyclohexenyl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1-cyclohex-3-enyl] ester IUPAC Name: [4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[4-(2,3-dioxobutanoyloxy)-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-2-oxocyclohex-3-en-1-yl] 2,3-dioxobutanoate Traditional Name: 2,3-diketobutyric acid [4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[4-(2,3-diketobutanoyloxy)-3-keto-2,6,6-trimethyl-cyclohexen-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2-keto-3,5,5-trimethyl-cyclohex-3-en-1-yl] ester Formula: C48H56O10 MolecularWeight: 792.95224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC(C1=O)OC(=O)C(=O)C(=O)C)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)C(CC2(C)C)OC(=O)C(=O)C(=O)C)C)C)C

Isomeric SMILES

CC1=C(C(CC(C1=O)OC(=O)C(=O)C(=O)C)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)C(CC2(C)C)OC(=O)C(=O)C(=O)C)C)\C)\C)/C)/C

InChI

InChI=1S/C48H56O10/c1-29(19-15-21-31(3)23-25-37-33(5)41(51)39(27-47(37,9)10)57-45(55)43(53)35(7)49)17-13-14-18-30(2)20-16-22-32(4)24-26-38-34(6)42(52)40(28-48(38,11)12)58-46(56)44(54)36(8)50/h13-26,39-40H,27-28H2,1-12H3/b14-13+,19-15+,20-16+,25-23+,26-24+,29-17+,30-18+,31-21+,32-22+