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3aH-Isoindole-3a-butanoic acid, octahydro-4-(5-methoxy-2-methyl-5-oxo-1-pentenyl)-6,7-dimethyl-1-(2-m ethylpropyl)-.gamma.,3-dioxo-, methyl ester
SpectraBase Compound ID Hztbj9uWhgz
InChI InChI=1S/C26H41NO6/c1-15(2)12-20-24-18(5)17(4)14-19(13-16(3)8-10-22(29)32-6)26(24,25(31)27-20)21(28)9-11-23(30)33-7/h13,15,17-20,24H,8-12,14H2,1-7H3,(H,27,31)/b16-13+
InChIKey LRQOXZLVDXGMQI-DTQAZKPQSA-N
Mol Weight 463.6 g/mol
Molecular Formula C26H41NO6
Exact Mass 463.293388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JxeEKHOvxUo
Name 3aH-Isoindole-3a-butanoic acid, octahydro-4-(5-methoxy-2-methyl-5-oxo-1-pentenyl)-6,7-dimethyl-1-(2-m ethylpropyl)-.gamma.,3-dioxo-, methyl ester
Alternate Name(s) Dimethyl ester of 17,18-dideoxy-6,7,19,20-tetrahydro-17,18-seco(aspochalasin-D-17,18-doic acid Methyl (4E)-5-[1-isobutyl-3a-(4-methoxy-4-oxobutanoyl)-6,7-dimethyl-3-oxooctahydro-1H-isoindol-4-yl]-4-methyl-4-pentenoate
CAS Registry Number 72363-30-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H41NO6
InChI InChI=1S/C26H41NO6/c1-15(2)12-20-24-18(5)17(4)14-19(13-16(3)8-10-22(29)32-6)26(24,25(31)27-20)21(28)9-11-23(30)33-7/h13,15,17-20,24H,8-12,14H2,1-7H3,(H,27,31)/b16-13+
InChIKey LRQOXZLVDXGMQI-DTQAZKPQSA-N
Molecular Weight 463.615 g/mol
SMILES N1C(C2C(C1=O)(C(CC(C2C)C)\C=C\(CCC(=O)OC)C)C(=O)CCC(=O)OC)CC(C)C
SPLASH splash10-0002-0149200000-87dfa87db289750168b0
Source of Spectrum H-62-1519-0
Wiley ID 1391321