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(4R,5R)-4-(hydroxymethyl)-5-[(2Z,6E)-3-(hydroxymethyl)-7-methyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,6-dienyl]-2-oxolanone

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(4R,5R)-4-(hydroxymethyl)-5-[(2Z,6E)-3-(hydroxymethyl)-7-methyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,6-dienyl]-2-oxolanone
SpectraBase Compound ID CfprfFObFuI
InChI InChI=1S/C25H40O4/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/h7,11,21,23,26-27H,5-6,8-10,12-17H2,1-4H3/b18-7+,20-11-/t21-,23-/m1/s1
InChIKey XYSUNNIWINLBIX-WNKILDKRSA-N
Mol Weight 404.6 g/mol
Molecular Formula C25H40O4
Exact Mass 404.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IOj4H6tcBm0
Name (4R,5R)-4-(hydroxymethyl)-5-[(2Z,6E)-3-(hydroxymethyl)-7-methyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,6-dienyl]-2-oxolanone
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Formula C25H40O4
InChI InChI=1S/C25H40O4/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/h7,11,21,23,26-27H,5-6,8-10,12-17H2,1-4H3/b18-7+,20-11-/t21-,23-/m1/s1
InChIKey XYSUNNIWINLBIX-WNKILDKRSA-N
Molecular Weight 404.591 g/mol
SMILES OC[C@]1(CC(O[C@@]1(C\C=C/(CO)CC\C=C\(CCC1=C(CCCC1(C)C)C)C)[H])=O)[H]
SPLASH splash10-000i-0900000000-0d634c1fa28acb12e0d1
Source of Spectrum J-57-3506-3
Synonyms (4R,5R)-4-(hydroxymethyl)-5-[(2Z,6E)-3-(hydroxymethyl)-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienyl]oxolan-2-one (4R,5R)-4-(hydroxymethyl)-5-[(2Z,6E)-3-(hydroxymethyl)-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienyl]tetrahydrofuran-2-one (4R,5R)-5-[(2Z,6E)-7-methyl-3-methylol-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienyl]-4-methylol-tetrahydrofuran-2-one
Wiley ID 1371510