Spectrum VF-NPL-QEHF021686 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
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
C23H26O5
382.178023932
O=C1OC2(C(=O)C=C3C=C(OC=C3C2C1C(=O)C)C=CC(=CC(C)CC)C)C
GAIVGINVGXHEIA-ZAAJWPAISA-N

Mass Spectral Metadata

NameValue
45HCD
MX_UC_34_p1_B06_NEG_QEHF_110.raw
13
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.085594750487834
0.7197061723648007
381.1707458496094
[M-H]-
0.005463143830074858 ppm
-2.0823906083933252E-6 Da