Spectrum CCMSLIB00000854157 for NCGC00380561-01_C20H26O8_2-Propenoic acid, 2-methyl-, (4S,6R,11E)-2,4,5,6,7,8,9,10-octahydro-6,7-dihydroxy-3-(methoxymethyl)-6,10-dimethyl-2-oxo-7,10-epoxycyclodeca[b]furan-4-yl ester

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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/C20H26O8/c1-11(2)16(21)26-14-9-19(4,23)20(24)7-6-18(3,28-20)8-13-15(14)12(10-25-5)17(22)27-13/h8,14,23-24H,1,6-7,9-10H2,2-5H3/b13-8+/t14-,18?,19+,20?/m0/s1
C20H26O8
394.162767792
O=C1OC2=CC3(OC(O)(CC3)C(O)(C)CC(OC(=O)C(=C)C)C2=C1COC)C
QYCVLCCQAORDAF-OKDMDMGYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
394.163
1
positive
C9_GC9_01_7903.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
4.5271279841893906
0.742935283426788
377.159
[M-H2O+H]+
9.5509002833318 ppm
0.003602207999961138 Da