Spectrum CCMSLIB00000840369 for "8_ ,14-dihydro-7-oxo-jolkinolide E"

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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
C20H28O3
316.20384475599997
O=C1OC2C(=C1C)CC3C(=O)CC4C(C)(C)CCCC4(C)C3C2
InChI=1S/C20H28O3/c1-11-12-8-13-14(9-16(12)23-18(11)22)20(4)7-5-6-19(2,3)17(20)10-15(13)21/h13-14,16-17H,5-10H2,1-4H3/t13-,14?,16-,17-,20+/m1/s1
NFJJBXBCKVIQFD-HWFMHHSJSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
qTof
317.204
1
8a__14-dihydro-7-oxo-jolkinolide_E.mgf
MS2
GNPS-LIBRARY
lfnothias, LITAUDON/TOUBOUL, Esposito
positive
3.3064790215772826
0.7567269671636935
317.204
[M+H]+
24.636372807276356 ppm
-0.007814755999959289 Da