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LUFFARIOLIDE-G
SpectraBase Compound ID 3ylCIjUZ9n5
InChI InChI=1S/C25H38O5/c1-18-7-5-12-24(2,3)21(18)11-14-25(4,29)13-6-8-19(16-26)9-10-22-20(17-27)15-23(28)30-22/h6,9,13,15,22,26-27,29H,5,7-8,10-12,14,16-17H2,1-4H3/b13-6+,19-9-
InChIKey BTSJKOQHESKBDD-MAYWLHCHSA-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 Kfwkniil2Kf
Name 2-[(2Z,5E)-7-hydroxy-3-(hydroxymethyl)-7-methyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,5-dienyl]-3-(hydroxymethyl)-2H-furan-5-one
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Formula C25H38O5
InChI InChI=1S/C25H38O5/c1-18-7-5-12-24(2,3)21(18)11-14-25(4,29)13-6-8-19(16-26)9-10-22-20(17-27)15-23(28)30-22/h6,9,13,15,22,26-27,29H,5,7-8,10-12,14,16-17H2,1-4H3/b13-6+,19-9-
InChIKey BTSJKOQHESKBDD-MAYWLHCHSA-N
Molecular Weight 418.574 g/mol
SMILES OC(\C=C\C\C(CO)=C/CC1OC(C=C1CO)=O)(CCC1=C(CCCC1(C)C)C)C
SPLASH splash10-000i-0900000000-b77743f0d7c7be038e0d
Source of Spectrum X2-56-438-2
Synonyms 2-[(2Z,5E)-7-hydroxy-3-(hydroxymethyl)-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,5-dienyl]-3-(hydroxymethyl)-2H-furan-5-one 2-[(2Z,5E)-7-hydroxy-7-methyl-3-methylol-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,5-dienyl]-3-methylol-2H-furan-5-one 3-(hydroxymethyl)-2-[(2Z,5E)-3-(hydroxymethyl)-7-methyl-7-oxidanyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,5-dienyl]-2H-furan-5-one Luffariolide G
Wiley ID 1604797