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(3S)-7-O-Methylvestitol
SpectraBase Compound ID E8mwol14af
InChI InChI=1S/C17H18O4/c1-19-13-5-6-15(16(18)8-13)12-7-11-3-4-14(20-2)9-17(11)21-10-12/h3-6,8-9,12,18H,7,10H2,1-2H3/t12-/m1/s1
InChIKey FWAWTPASGRNXTO-GFCCVEGCSA-N
Mol Weight 286.33 g/mol
Molecular Formula C17H18O4
Exact Mass 286.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9tTrozsAWRn
Name (3S)-7-O-Methylvestitol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O4
InChI InChI=1S/C17H18O4/c1-19-13-5-6-15(16(18)8-13)12-7-11-3-4-14(20-2)9-17(11)21-10-12/h3-6,8-9,12,18H,7,10H2,1-2H3/t12-/m1/s1
InChIKey FWAWTPASGRNXTO-GFCCVEGCSA-N
Instrument Name Hewlett-Packard 5890 series II-5989B
Ionization Type EI
Literature Reference DOI 10.1002/jsfa.4468
SMILES Oc1c([C@@]2(Cc3ccc(cc3OC2)OC)[H])ccc(c1)OC
SPLASH splash10-0f79-0920000000-c419476ecc0f7e9c4bff
Source of Spectrum SFA-91-2366-(3S)-7-O-Methylvestitol
Wiley ID 1838623