Spectrum VF-NPL-QEHF024263 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
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
C20H26O4
330.183109312
O=C1OCC23C1=CC(O)CC2C(C)(CCC4=COC=C4)C(C)CC3
QXAYVHFIMKYRKA-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
45HCD
MX_UC_764_p10_D07_NEG_QEHF_1020.raw
13
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
1.9788900179444107
0.3866534604132246
329.1758117675781
[M-H]-
0.06544958989592334 ppm
-2.1544421883845644E-5 Da