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[(6E,12Z)-3A-Acetyloxy-1-benzoyloxy-2,5,8,8,12-pentamethyl-4,9-dioxo-2,3,5,10,11,13A-hexahydro-1H-cyclopenta[12]annulen-11-yl] benzoate

View entire compound with spectra: 1 NMR

[(6E,12Z)-3A-Acetyloxy-1-benzoyloxy-2,5,8,8,12-pentamethyl-4,9-dioxo-2,3,5,10,11,13A-hexahydro-1H-cyclopenta[12]annulen-11-yl] benzoate
SpectraBase Compound ID 3tsy71HJH80
InChI InChI=1S/C36H40O8/c1-22-17-18-35(5,6)30(38)20-29(42-33(40)26-13-9-7-10-14-26)23(2)19-28-31(43-34(41)27-15-11-8-12-16-27)24(3)21-36(28,32(22)39)44-25(4)37/h7-19,22,24,28-29,31H,20-21H2,1-6H3/b18-17+,23-19-
InChIKey IBMKFRJIFFORNR-QJRLKQHFSA-N
Mol Weight 600.7 g/mol
Molecular Formula C36H40O8
Exact Mass 600.272318 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9HnInEqIUuf
Name [(6E,12Z)-3A-Acetyloxy-1-benzoyloxy-2,5,8,8,12-pentamethyl-4,9-dioxo-2,3,5,10,11,13A-hexahydro-1H-cyclopenta[12]annulen-11-yl] benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 600.272318240 u
Formula C36H40O8
InChI InChI=1S/C36H40O8/c1-22-17-18-35(5,6)30(38)20-29(42-33(40)26-13-9-7-10-14-26)23(2)19-28-31(43-34(41)27-15-11-8-12-16-27)24(3)21-36(28,32(22)39)44-25(4)37/h7-19,22,24,28-29,31H,20-21H2,1-6H3/b18-17+,23-19-
InChIKey IBMKFRJIFFORNR-QJRLKQHFSA-N
Molecular Weight 600.708 g/mol
SMILES C12(C(\C=C/(C(CC(C(\C=C\C(C2=O)C)(C)C)=O)OC(C2=CC=CC=C2)=O)C)C(C(C1)C)OC(C1=CC=CC=C1)=O)OC(=O)C