4-[[4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[4-(3-carboxypropanoyloxy)-2,6,6-trimethyl-3-oxo-1-cyclohexenyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-2-oxo-1-cyclohex-3-enyl]oxy]-4-oxo-butanoic acid
Molecular Formula:
C48H60O10
InChI: InChI=1/C48H60O10/c1-31(17-13-19-33(3)21-23-37-35(5)45(55)39(29-47(37,7)8)57-43(53)27-25-41(49)50)15-11-12-16-32(2)18-14-20-34(4)22-24-38-36(6)46(56)40(30-48(38,9)10)58-44(54)28-26-42(51)52/h11-24,39-40H,25-30H2,1-10H3,(H,49,50)(H,51,52)/b12-11+,17-13+,18-14+,23-21+,24-22+,31-15+,32-16+,33-19+,34-20+/f/h49,51H
InChIKey: InChIKey=MUSBCQQQJBPMIT-QCAXKTPBDV
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)O)C)C)C
Names:
4-[[4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[4-(3-carboxypropanoyloxy)-2,6,6-trimethyl-3-oxo-1-cyclohexenyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-2-oxo-1-cyclohex-3-enyl]oxy]-4-oxo-butanoic acid
Registries:
PubChem CID 10418083
PubChem ID 16471029
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