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Peniolactol methyl ester
SpectraBase Compound ID JEDO5mioLW9
InChI InChI=1S/C25H40O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(29-2)19-20-17-21(26)18-22(27)23(20)24(28)30-25/h17-18,26-27H,3-16,19H2,1-2H3
InChIKey HGGBRXRWDXPEEI-UHFFFAOYSA-N
Mol Weight 420.6 g/mol
Molecular Formula C25H40O5
Exact Mass 420.287574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JeHFDFUkKz
Name Peniolactol methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40O5
InChI InChI=1S/C25H40O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(29-2)19-20-17-21(26)18-22(27)23(20)24(28)30-25/h17-18,26-27H,3-16,19H2,1-2H3
InChIKey HGGBRXRWDXPEEI-UHFFFAOYSA-N
Molecular Weight 420.590 g/mol
SMILES Oc1cc2CC(OC(c2c(c1)O)=O)(OC)CCCCCCCCCCCCCCC
SPLASH splash10-0lfr-0240900000-9fb3a62170b3dcf5cba8
Source of Spectrum F7-20-294-5
Wiley ID 1556905