4-[4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[4-[4-[4-[(E)-2-[3,5-bis(oxidanyl)phenyl]ethenyl]phenoxy]-4-oxidanylidene-butanoyl]oxy-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]oxy-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[4-[4-[4-[(E)-2-[3,5-bis(oxidanyl)phenyl]ethenyl]phenoxy]-4-oxidanylidene-butanoyl]oxy-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]oxy-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[4-[4-[4-[(E)-2-(3,5-dihydroxyphenyl)vinyl]phenoxy]-4-oxo-butanoyl]oxy-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]oxy-4-oxo-butanoic acid CAS Name: 4-[[4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[4-[4-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]-1,4-dioxobutoxy]-2,6,6-trimethyl-3-oxo-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-2-oxo-1-cyclohex-3-enyl]oxy]-4-oxobutanoic acid IUPAC Name: 4-[4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[4-[4-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]-4-oxobutanoyl]oxy-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]oxy-4-oxobutanoic acid Traditional Name: 4-[4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[4-[4-[4-[(E)-2-(3,5-dihydroxyphenyl)vinyl]phenoxy]-4-keto-butanoyl]oxy-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]oxy-4-keto-butyric acid Formula: C62H70O12 MolecularWeight: 1007.212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC(C1=O)OC(=O)CCC(=O)O)(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)CCC(=O)OC3=CC=C(C=C3)C=CC4=CC(=CC(=C4)O)O)C)C)C

Isomeric SMILES

CC1=C(C(CC(C1=O)OC(=O)CCC(=O)O)(C)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)CCC(=O)OC3=CC=C(C=C3)/C=C/C4=CC(=CC(=C4)O)O)C)/C)/C

InChI

InChI=1S/C62H70O12/c1-40(17-13-19-42(3)21-29-51-44(5)59(70)53(38-61(51,7)8)73-57(68)32-31-55(65)66)15-11-12-16-41(2)18-14-20-43(4)22-30-52-45(6)60(71)54(39-62(52,9)10)74-58(69)34-33-56(67)72-50-27-25-46(26-28-50)23-24-47-35-48(63)37-49(64)36-47/h11-30,35-37,53-54,63-64H,31-34,38-39H2,1-10H3,(H,65,66)/b12-11+,17-13+,18-14+,24-23+,29-21+,30-22+,40-15+,41-16+,42-19+,43-20+