Spectrum PM019021 for Cyptotanshinone

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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
296.14
InChI=1S/C19H20O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,10H,4-5,8-9H2,1-3H3/t10-/m0/s1
GVKKJJOMQCNPGB-JTQLQIEISA-N
C19H20O3
296.14124449999997
O=C1C(=O)C2=C(OCC2C)C=3C=CC4=C(C13)CCCC4(C)C

Mass Spectral Metadata

NameValue
PM019021
[M+H]+
F. Matsuda and M. Suzuki.
Copyright(C) 2012 Plant Science Center, RIKEN
H2O/CH3OH/HCOOH
QIT
LCQ Deca XPplus
40%
ESI
positive
Salvia miltiorrhiza
[M+H]+
MS2
1.2169101998423282
0.6791705140906052
297
502.405723905626 ppm
-0.14921449999997094 Da