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(6E)-NEOMANOALIDE
SpectraBase Compound ID DziTmcyvsS7
InChI InChI=1S/C25H38O4/c1-18(10-12-22-19(2)8-6-14-25(22,3)4)7-5-9-20(16-26)11-13-23-21(17-27)15-24(28)29-23/h7,11,15,23,26-27H,5-6,8-10,12-14,16-17H2,1-4H3/b18-7+,20-11+
InChIKey VOZHIXNCTBMKNV-NALKXVEFSA-N
Mol Weight 402.6 g/mol
Molecular Formula C25H38O4
Exact Mass 402.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I4NaJVrl7PS
Name 2-[(2E,6E)-7-methyl-3-methylol-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienyl]-3-methylol-2H-furan-5-one
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Formula C25H38O4
InChI InChI=1S/C25H38O4/c1-18(10-12-22-19(2)8-6-14-25(22,3)4)7-5-9-20(16-26)11-13-23-21(17-27)15-24(28)29-23/h7,11,15,23,26-27H,5-6,8-10,12-14,16-17H2,1-4H3/b18-7+,20-11+
InChIKey VOZHIXNCTBMKNV-NALKXVEFSA-N
Molecular Weight 402.575 g/mol
SMILES OC\C(=C\CC1OC(C=C1CO)=O)CC\C=C\(CCC1=C(CCCC1(C)C)C)C
SPLASH splash10-000i-2911300000-1b25b2479cff8cc2fc22
Source of Spectrum H-77-666-3
Synonyms 3-(hydroxymethyl)-2-[(2E,6E)-3-(hydroxymethyl)-7-methyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,6-dienyl]-2H-furan-5-one 3-(hydroxymethyl)-2-[(2E,6E)-3-(hydroxymethyl)-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienyl]-2H-furan-5-one
Wiley ID 1370571