Spectrum CCMSLIB00000579937 for beta-amyrin

Rating: (*)★(*)★(*)★(*)★(*)☆

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
559-70-6
InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1
C30H50O
426.38616621999995
OC1CCC2(C)C(CCC3(C)C2CC=C4C5CC(C)(C)CCC5(C)CCC43C)C1(C)C
JFSHUTJDVKUMTJ-QHPUVITPSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Lysate
qTof
426.386
1
f.TJLing/201606/20160618/stds/20160618_stds-1_P1-F-5_01_34722.mzXML;
MS2
GNPS-LIBRARY
TJLing, Tie-Jun Ling
positive
2.2529711531325836
0.9784529396926871
427.393
[M+H]+
2.6584899611786783 ppm
-0.0011362199999780387 Da