Spectrum VF-NPL-QTOF004135 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
DLHZVTVUHATYAU-UHFFFAOYSA-N
C19H22O5
330.146723804
O=C1OC(C2=COC=C2)CC13C(C)CCC4(O)C(=CC(=O)CC43)C
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

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent 6530 Q-TOF
Arpana Vaniya and Alberto Valdes Tabernero
positive
20 V
MX_C1_514
3.6333 minutes
3.2244683048163565
0.7615463383633194
348.1795
[M+NH4]+
16.668999754383822 ppm
-0.005803803999981483 Da