Spectrum CCMSLIB00000850228 for NCGC00385049-01_C24H32O4_2-Propenoic acid, 3-phenyl-, (1R,2R,3S,4R,6E,10S)-2-hydroxy-6,10-dimethyl-3-(1-methylethyl)-11-oxabicyclo[8.1.0]undec-6-en-4-yl ester, (2E)-

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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/C24H32O4/c1-16(2)21-19(27-20(25)13-12-18-10-6-5-7-11-18)15-17(3)9-8-14-24(4)23(28-24)22(21)26/h5-7,9-13,16,19,21-23,26H,8,14-15H2,1-4H3/b13-12+,17-9+/t19-,21-,22-,23-,24+/m1/s1
C24H32O4
384.230059504
O=C(OC1CC(=CCCC2(OC2C(O)C1C(C)C)C)C)C=CC=3C=CC=CC3
JBAYXBWJNDAHDZ-DXAOZSIRSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
384.23
1
positive
A2_GA2_01_8150.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
3.7506724615523086
0.6209460760900766
385.237
[M+H]+
2.672391281141889 ppm
-0.001029503999973258 Da