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Vallapanin

View entire compound with spectra: 1 MS (GC)

Vallapanin
SpectraBase Compound ID 8jwEWiBgzYK
InChI InChI=1S/C16H18O5/c1-7-10-5-12(20-3)9(6-17)4-11(10)13-8(2)16(19)21-15(13)14(7)18/h4-5,7,14-15,17-18H,6H2,1-3H3/t7-,14+,15+/m0/s1
InChIKey MUUGUKHVFCSTAX-MFKHAEIXSA-N
Mol Weight 290.31 g/mol
Molecular Formula C16H18O5
Exact Mass 290.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8SiHtZQM5bR
Name Vallapanin
Alternate Name(s) 14-Hydroxy-Vallapin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O5
InChI InChI=1S/C16H18O5/c1-7-10-5-12(20-3)9(6-17)4-11(10)13-8(2)16(19)21-15(13)14(7)18/h4-5,7,14-15,17-18H,6H2,1-3H3/t7-,14+,15+/m0/s1
InChIKey MUUGUKHVFCSTAX-MFKHAEIXSA-N
Molecular Weight 290.315 g/mol
SMILES OCc1c(cc2c(C=3[C@]([C@@]([C@]2(C)[H])(O)[H])(OC(C3C)=O)[H])c1)OC
SPLASH splash10-03kc-0190000000-c58d80aec21f91e54936
Source of Spectrum X2-54-289-2
Wiley ID 1603879