Spectrum CCMSLIB00000852061 for NCGC00385861-01_C15H24O3_1,2,4-Metheno-1H-indene-1,5-dimethanol, octahydro-3-hydroxy-alpha~5~,alpha~5~,7a-trimethyl-

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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
n/a
n/a
InChI=1S/C15H24O3/c1-13(2,18)7-4-5-14(3)10-8(7)9-11(12(10)17)15(9,14)6-16/h7-12,16-18H,4-6H2,1-3H3
C15H24O3
252.17254462799997
OCC12C3C(O)C4C(C(CCC41C)C(O)(C)C)C32
ORUMCUXABQCFEG-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
252.173
1
positive
G8_GG8_01_8192.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
4.185967938487355
0.7252898971300926
235.169
[M-H2O+H]+
16.266480701330426 ppm
0.003825372000051175 Da