Spectrum CCMSLIB00000849692 for NCGC00169179-04_C23H32O7_(5R,9aS,9bS)-9b-Hydroxy-6,6,9a-trimethyl-1-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-5-yl (2E,4E)-6,7-dihydroxy-2,4-octadienoate

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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/C23H32O7/c1-14(24)16(25)8-5-6-9-18(26)30-17-12-15-13-29-20(27)23(15,28)22(4)11-7-10-21(2,3)19(17)22/h5-6,8-9,12,14,16-17,19,24-25,28H,7,10-11,13H2,1-4H3/b8-5+,9-6+/t14?,16?,17-,19?,22+,23+/m1/s1
C23H32O7
420.214803364
O=C(OC1C=C2COC(=O)C2(O)C3(C)CCCC(C)(C)C13)C=CC=CC(O)C(O)C
AVBLSPPEZPLINV-LPUDELNJSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
420.215
1
negative
C12_RC12_01_8275.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE
mwang87, Jadhav/Dorrestein, lfnothias
2.1065518454273344
0.6628433493830093
465.213
[M+FA-H]-