Spectrum CCMSLIB00000851410 for NCGC00385162-01_C20H30O_14-Isopropylpodocarpa-8,11,13-trien-13-ol

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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
511-15-9
n/a
InChI=1S/C20H30O/c1-13(2)18-14-7-10-17-19(3,4)11-6-12-20(17,5)15(14)8-9-16(18)21/h8-9,13,17,21H,6-7,10-12H2,1-5H3/t17-,20+/m0/s1
C20H30O
286.22966558
OC1=CC=C2C(=C1C(C)C)CCC3C2(C)CCCC3(C)C
ZRVDANDJSTYELM-FXAWDEMLSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
286.23
1
positive
A3_GA3_01_8151.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
3.5822161832553783
0.7024137267029739
287.237
[M+H]+
2.212737216980235 ppm
-6.355799999937517E-4 Da