Spectrum VF-NPL-QEHF001803 for 5'-(furan-3-yl)-4a-hydroxy-4,7-dimethylspiro[5,6,7,8a-tetrahydro-1H-naphthalene-8,3'-oxolane]-2,2'-dione

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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/C19H22O5/c1-11-3-5-19(22)12(2)7-14(20)8-16(19)18(11)9-15(24-17(18)21)13-4-6-23-10-13/h4,6-7,10-11,15-16,22H,3,5,8-9H2,1-2H3
C19H22O5
330.146723804
O=C1OC(C2=COC=C2)CC13C(C)CCC4(O)C(=CC(=O)CC43)C
DLHZVTVUHATYAU-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
65HCD
MX_C1_514_p24_H03_POS_QEHF_42.raw
21
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.8723985296947445
0.6554407868375155
331.1539916992188
[M+H]+
2.1201761076966394 ppm
-7.021047811690551E-4 Da