Spectrum CCMSLIB00005722945 for NCGC00385035-01![8-[2-(3-methylbut-2-enoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000845540]

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
InChI=1S/C24H26O7/c1-7-14(4)23(27)30-21-19-16(10-8-15-9-11-17(25)29-20(15)19)28-22(21)24(5,6)31-18(26)12-13(2)3/h7-12,21-22H,1-6H3/b14-7-
C24H26O7
426.167853172
O=C1OC2=C(C=C1)C=CC=3OC(C(OC(=O)C(=CC)C)C32)C(OC(=O)C=C(C)C)(C)C
XAQHSTCVGOTLHK-AUWJEWJLSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
Orbitrap
426.168
1
MSV0000083472_NIH_NP_QE_Pos2_0i1min_r80_mergeMSMS.mgf
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
Pieter Dorrestein, mpanitchpakdi, lfnothias/robinschmid
positive
1.5276055965379238
0.4806732919217657
875.325
[2M+Na]+
0.5441910146918286 ppm
-4.763439999351249E-4 Da