Spectrum VF-NPL-QTOF007486 for Dihydrogedunin

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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
ROWFSYNHZPRCKO-UHFFFAOYSA-N
C28H36O7
484.246103492
O=C(OC1CC2C(C(=O)CCC2(C)C3CCC4(C)C(OC(=O)C5OC54C13C)C6=COC=C6)(C)C)C
InChI=1S/C28H36O7/c1-15(29)33-20-13-18-24(2,3)19(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)34-23(31)22-28(26,35-22)27(17,20)6/h9,12,14,17-18,20-22H,7-8,10-11,13H2,1-6H3

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent 6530 Q-TOF
Arpana Vaniya and Alberto Valdes Tabernero
positive
20 V
NP_C3_115
5.9353 minutes
2.5541679057423217
0.6971816370118028
507.2354
[M+Na]+
0.9334758574996058 ppm
-4.734919999691556E-4 Da