Spectrum CCMSLIB00000851254 for NCGC00180650-02_C15H24O3_1(4H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-4-hydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-, (4R,4aS,8aS)-

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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/c1-10-8-11(17)12-13(2,3)6-5-7-14(12,4)15(10,18)9-16/h8,12,16,18H,5-7,9H2,1-4H3/t12-,14-,15+/m0/s1
C15H24O3
252.172544628
O=C1C=C(C)C(O)(CO)C2(C)CCCC(C)(C)C12
CKASNEFFHUIZEG-AEGPPILISA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
252.173
1
positive
E3_RE3_01_8028.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
3.4420042084812192
0.6816044266489782
253.18
[M+H]+
2.0326566079097086 ppm
-5.146279999905801E-4 Da