Spectrum PM001310 for (3S)-7-O-methylvestitol

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
286.12
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
FWAWTPASGRNXTO-GFCCVEGCSA-N
C17H18O4
286.120509056
OC1=CC(OC)=CC=C1C2COC3=CC(OC)=CC=C3C2

Mass Spectral Metadata

NameValue
PM001310
Piccinelli AL, et al.
Copyright(C) 2012 Plant Science Center, RIKEN
MeOH/H2O
QIT
LCQ Deca
15->33%
ESI
positive
Cuban propolis
[M+H]+
MS2
0.6931471805599453
1.0
287.2
[M+H]+
249.02835654590993 ppm
0.07152094399998532 Da