Spectrum FFF00267 for Stigmasterol

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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
Natural Product; Sterol
InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20?,21?,23-,24?,25?,26?,27?,28?,29?/m0/s1
HCXVJBMSMIARIN-WWUFFIEYSA-N
C29H48O
412.37051615599995
OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C=CC(CC)C(C)C)C)C2(C)CC1

Mass Spectral Metadata

NameValue
FFF00267
2016.01.19 (Created 2011.04.05, modified 2011.06.20)
Atsushi Yamamoto, PFOS.jp
CC BY-SA
PFOS.jp
Disclaimer: While authors make an effort to ensure that the content of this record is accurate, the authors make no representations or warranties in relation to the accuracy or completeness of the record. This record do not reflect any viewpoints of the affiliation and organization to which the authors belong.
412.37052
API2000
LC-APPI-QQ
MS2
0.820850 min
positive
4.005144173964107
0.6853963772895906
395.5
[M-H2O+H]+
346.02741845772266 ppm
0.1368538440000293 Da