Spectrum CCMSLIB00000479615 for Desmosterol

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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
313-04-2
439577
InChI=1S/C27H44O/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/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
AVSXSVCZWQODGV-DPAQBDIFSA-N
C27H44O
384.33921602799995
OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCC=C(C)C)C2(C)CC1

Mass Spectral Metadata

NameValue
DI-ESI
Commercial
Orbitrap
384.339
1
Desmosterol2.mzXML
MS2
GNPS-EMBL-MCF
Alexandrov Theodore, pphapale, Prasad
positive
2.847133465202755
0.6443168509358033
385.439
[M+H]+
238.2062323741711 ppm
0.09181397200006813 Da