Spectrum CCMSLIB00000855685 for NCGC00179704-04_C15H24O3_2-Naphthaleneacetic acid, decahydro-8-hydroxy-4a,8-dimethyl-alpha-methylene-

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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
4586-68-9
n/a
InChI=1S/C15H24O3/c1-10(13(16)17)11-5-8-14(2)6-4-7-15(3,18)12(14)9-11/h11-12,18H,1,4-9H2,2-3H3,(H,16,17)
C15H24O3
252.17254462799997
O=C(O)C(=C)C1CCC2(C)CCCC(O)(C)C2C1
FXKCXGBBUBCRPU-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
252.173
1
positive
E12_GE12_01_8184.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
3.9073052775091504
0.6631943710494882
235.169
[M-H2O+H]+
16.266480701330426 ppm
0.003825372000051175 Da