Spectrum FFF00006 for Cholesterol

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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/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19?,21-,22?,23?,24?,25?,26?,27?/m0/s1
HVYWMOMLDIMFJA-LBHVWCRMSA-N
C27H46O
386.35486609199995
OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1

Mass Spectral Metadata

NameValue
FFF00006
2016.01.19 (Created 2011.01.18, 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.
386.35487
API2000, Applied
LC-APPI-QQ
MS2
0.820867 min
positive
0.5665291192476868
0.10260493149828015
369.42
[M-H2O+H]+
196.26416544866072 ppm
0.07250390800004425 Da