Spectrum CCMSLIB00000851458 for NCGC00347583-02_C20H26O4_15-Hydroxy-7-oxoabieta-8(14),9(11),12-trien-18-oic acid

Rating: (*)★(*)★(*)★(*)★(*)☆

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/C20H26O4/c1-18(2,24)12-6-7-14-13(10-12)15(21)11-16-19(14,3)8-5-9-20(16,4)17(22)23/h6-7,10,16,24H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,19-,20-/m1/s1
C20H26O4
330.183109312
O=C(O)C1(C)CCCC2(C3=CC=C(C=C3C(=O)CC12)C(O)(C)C)C
MXPXAZNVQUWDFH-NSISKUIASA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
330.183
1
negative
A7_GA7_01_8204.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE
mwang87, Jadhav/Dorrestein, lfnothias
1.265169874154565
0.5758036239010121
329.176
[M-H]-
0.5063795658823127 ppm
1.6668799997887618E-4 Da