Spectrum VF-NPL-LTQ006513 for Deguelin(-)

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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/C23H22O6/c1-23(2)8-7-12-15(29-23)6-5-13-21(24)20-14-9-17(25-3)18(26-4)10-16(14)27-11-19(20)28-22(12)13/h5-10,19-20H,11H2,1-4H3/t19-,20+/m1/s1
C23H22O6
394.141638424
O=C1C2=CC=C3OC(C=CC3=C2OC4COC5=CC(OC)=C(OC)C=C5C14)(C)C
ORDAZKGHSNRHTD-UXHICEINSA-N

Mass Spectral Metadata

NameValue
35
NP_C2_127_p7_H08_POS_iTree_02.raw
positive
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
1.4828629432657672
0.7620408085058075
395.19590454101564
M-H
5216.506783920027 ppm
2.0615421170156196 Da