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LUFFARIOLIDE-F
SpectraBase Compound ID HLdQ3ksLsj
InChI InChI=1S/C25H38O5/c1-17(8-10-21-18(2)22(28)12-13-25(21,3)4)6-5-7-19(15-26)9-11-23-20(16-27)14-24(29)30-23/h6,9,14,22-23,26-28H,5,7-8,10-13,15-16H2,1-4H3/b17-6+,19-9-
InChIKey BKHHGIGVYWPIJC-GPKGBNBSSA-N
Mol Weight 418.6 g/mol
Molecular Formula C25H38O5
Exact Mass 418.271924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BuZ32toUQNs
Name 2-[(2Z,6E)-9-(3-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl)-7-methyl-3-methylol-nona-2,6-dienyl]-3-methylol-2H-furan-5-one
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Formula C25H38O5
InChI InChI=1S/C25H38O5/c1-17(8-10-21-18(2)22(28)12-13-25(21,3)4)6-5-7-19(15-26)9-11-23-20(16-27)14-24(29)30-23/h6,9,14,22-23,26-28H,5,7-8,10-13,15-16H2,1-4H3/b17-6+,19-9-
InChIKey BKHHGIGVYWPIJC-GPKGBNBSSA-N
Molecular Weight 418.574 g/mol
SMILES OC1C(=C(CC\C(=C\CC\C(CO)=C/CC2C(=CC(O2)=O)CO)C)C(CC1)(C)C)C
SPLASH splash10-000i-0900000000-2e69735fca683fb6c8d3
Source of Spectrum X2-56-438-1
Synonyms 3-(hydroxymethyl)-2-[(2Z,6E)-3-(hydroxymethyl)-7-methyl-9-(2,6,6-trimethyl-3-oxidanyl-cyclohexen-1-yl)nona-2,6-dienyl]-2H-furan-5-one 3-(hydroxymethyl)-2-[(2Z,6E)-3-(hydroxymethyl)-9-(3-hydroxy-2,6,6-trimethyl-1-cyclohexenyl)-7-methylnona-2,6-dienyl]-2H-furan-5-one 3-(hydroxymethyl)-2-[(2Z,6E)-3-(hydroxymethyl)-9-(3-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl)-7-methyl-nona-2,6-dienyl]-2H-furan-5-one Luffariolide F
Wiley ID 1604798