Spectrum CCMSLIB00000849505 for NCGC00381439-01_C15H24O3_1(4H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-6-hydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-

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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/c1-9-5-12(18)13-14(2,3)6-10(17)7-15(13,4)11(9)8-16/h5,10-11,13,16-17H,6-8H2,1-4H3
C15H24O3
252.17254462799997
O=C1C=C(C)C(CO)C2(C)CC(O)CC(C)(C)C12
QXTBAOJTASJFAD-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
252.173
1
positive
G7_RG7_01_8044.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
4.095961264730494
0.7355797152931016
253.18
[M+H]+
2.0326566077974495 ppm
-5.146279999621584E-4 Da