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3aH-Isoindole-3a-butanoic acid, octahydro-6,7-dimethyl-1-(2-methylpropyl)-.gamma.,3-dioxo-4-[(tetrahydro-2-methyl-5-oxo-2-furanyl)methyl]-, methyl ester
SpectraBase Compound ID J2W6wunVW9e
InChI InChI=1S/C25H39NO6/c1-14(2)11-18-22-16(4)15(3)12-17(13-24(5)10-9-21(29)32-24)25(22,23(30)26-18)19(27)7-8-20(28)31-6/h14-18,22H,7-13H2,1-6H3,(H,26,30)
InChIKey VCRHRVIOHXPXPV-UHFFFAOYSA-N
Mol Weight 449.6 g/mol
Molecular Formula C25H39NO6
Exact Mass 449.277738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7HTYagdtIgb
Name 3aH-Isoindole-3a-butanoic acid, octahydro-6,7-dimethyl-1-(2-methylpropyl)-.gamma.,3-dioxo-4-[(tetrahydro-2-methyl-5-oxo-2-furanyl)methyl]-, methyl ester
CAS Registry Number 72363-32-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H39NO6
InChI InChI=1S/C25H39NO6/c1-14(2)11-18-22-16(4)15(3)12-17(13-24(5)10-9-21(29)32-24)25(22,23(30)26-18)19(27)7-8-20(28)31-6/h14-18,22H,7-13H2,1-6H3,(H,26,30)
InChIKey VCRHRVIOHXPXPV-UHFFFAOYSA-N
Molecular Weight 449.588 g/mol
SMILES N1C(C2C(C1=O)(C(CC(C2C)C)CC1(OC(=O)CC1)C)C(=O)CCC(=O)OC)CC(C)C
SPLASH splash10-052u-9007100000-9d85c2bc52f512b2d154
Source of Spectrum H-62-1519-0
Synonyms 17,18-Dideoxy-18-methoxy-18-oxo-6,7,13,14,19,20-hexahydro-17,18-seco(aspochalasin d)-17-oic acid-.gamma.-lactone Methyl 4-{1-isobutyl-6,7-dimethyl-4-[(2-methyl-5-oxotetrahydro-2-furanyl)methyl]-3-oxooctahydro-3aH-isoindol-3a-yl}-4-oxobutanoate
Wiley ID 1387452