Spectrum VF-NPL-QTOF004918 for 7-[2-(furan-3-yl)ethyl]-5-hydroxy-7,8-dimethyl-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one

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  • Originally submitted to the Vaniya/Fiehn Natural Products Library

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
QXAYVHFIMKYRKA-UHFFFAOYSA-N
C20H26O4
330.183109312
O=C1OCC23C1=CC(O)CC2C(C)(CCC4=COC=C4)C(C)CC3
InChI=1S/C20H26O4/c1-13-3-7-20-12-24-18(22)16(20)9-15(21)10-17(20)19(13,2)6-4-14-5-8-23-11-14/h5,8-9,11,13,15,17,21H,3-4,6-7,10,12H2,1-2H3

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent 6530 Q-TOF
Arpana Vaniya and Alberto Valdes Tabernero
negative
20 V
MX_UC_764
5.6935 minutes
0.8913428025354504
0.6429679204749824
329.1758
[M-H]-
0.10119820481263549 ppm
-3.3312000027763133E-5 Da