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3,6,8-TRIHYDROXY-3,4-DIHYDRO-3-PENTADECYL-ISO-COUMARIN;PENIOLACTOL
SpectraBase Compound ID G1Xdec4te0U
InChI InChI=1S/C24H38O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(28)18-19-16-20(25)17-21(26)22(19)23(27)29-24/h16-17,25-26,28H,2-15,18H2,1H3
InChIKey RFYSNRXPFZETHR-UHFFFAOYSA-N
Mol Weight 406.6 g/mol
Molecular Formula C24H38O5
Exact Mass 406.271924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0QUEi4RDUW
Name Peniolactol
Alternate Name(s) 3,6,8-trihydroxy-3-pentadecyl-3,4-dihydro-1H-2-benzopyran-1-one 3,6,8-trihydroxy-3-pentadecyl-4H-isochromen-1-one 3,6,8-tris(oxidanyl)-3-pentadecyl-4H-isochromen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H38O5
InChI InChI=1S/C24H38O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(28)18-19-16-20(25)17-21(26)22(19)23(27)29-24/h16-17,25-26,28H,2-15,18H2,1H3
InChIKey RFYSNRXPFZETHR-UHFFFAOYSA-N
Molecular Weight 406.563 g/mol
SMILES Oc1cc2CC(OC(c2c(c1)O)=O)(O)CCCCCCCCCCCCCCC
SPLASH splash10-000j-0609100000-3443080636a25eed6b6b
Source of Spectrum F7-20-294-5
Wiley ID 1556906