Spectrum PM003109 for Ginsenoside Rf

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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
800.49
UZIOUZHBUYLDHW-XUBRWZAZSA-N
InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,52)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-37-34(32(50)30(48)25(19-44)55-37)56-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36-,37+,39+,40+,41+,42-/m0/s1
C42H72O14
800.492206984
OCC1OC(OC2C(O)C(O)C(OC2OC3CC4(C)C(CC(O)C5C(CCC54C)C(O)(C)CCC=C(C)C)C6(C)CCC(O)C(C)(C)C36)CO)C(O)C(O)C1O

Mass Spectral Metadata

NameValue
PM003109
negative
Fuzzati N, Gabetta B, Jayakar K, Pace R, & Peterlongo F
Copyright(C) 2012 Plant Science Center, RIKEN
CH3CN/8mMCH3COONH4
QIT
LCQ
30V
ESI
Panax ginseng
[M-H]-
MS2
0.6720225379194755
0.9695235828220428
799
[M-H]-
606.9223829786011 ppm
-0.4849309839999023 Da