Spectrum VF-NPL-QTOF009146 for Ochrephilone

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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
GAIVGINVGXHEIA-ZAAJWPAISA-N
C23H26O5
382.178023932
O=C1OC2(C(=O)C=C3C=C(OC=C3C2C1C(=O)C)C=CC(=CC(C)CC)C)C
InChI=1S/C23H26O5/c1-6-13(2)9-14(3)7-8-17-10-16-11-19(25)23(5)21(18(16)12-27-17)20(15(4)24)22(26)28-23/h7-13,20-21H,6H2,1-5H3/b8-7+,14-9+/t13-,20-,21-,23-/m0/s1

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent 6530 Q-TOF
Arpana Vaniya and Alberto Valdes Tabernero
negative
40 V
MX_UC_34
5.96 minutes
4.096993945718848
0.9431808167803447
381.1722
[M-H]-
3.809480334588589 ppm
0.0014520679999918684 Da