Spectrum MoNA016694 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
OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCC=C(C)C)C2(C)CC1
AVSXSVCZWQODGV-DPAQBDIFSA-N
C27H44O
384.33921602799995
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

Mass Spectral Metadata

NameValue
C27H44O
-1
6.166167
-1
LC-ESI-QTOF
XEVO-G2S
6V (MS1); Ramp 15V-30V (MSE)
MSMS-USMARCStd-Pos-V1.msp
positive
3.445034291273972
0.8558343608095534
385.3469
[M+H]+
0.7422610638573874 ppm
-2.860279999481463E-4 Da