Spectrum VF-NPL-QTOF002827 for 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-5-(2-phenylethyl)phenol

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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
ZDSBUUDXDQSCSK-DEDYPNTBSA-N
C25H32O2
364.240230264
OC=1C=C(C=C(OC)C1CC=C(C)CCC=C(C)C)CCC=2C=CC=CC2
InChI=1S/C25H32O2/c1-19(2)9-8-10-20(3)13-16-23-24(26)17-22(18-25(23)27-4)15-14-21-11-6-5-7-12-21/h5-7,9,11-13,17-18,26H,8,10,14-16H2,1-4H3/b20-13+

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent 6530 Q-TOF
Arpana Vaniya and Alberto Valdes Tabernero
positive
40 V
MX_UC_1910
6.3285 minutes
3.91650075371839
0.9452989131081119
365.2476
[M+H]+
1.643444063734682 ppm
-6.002640000133397E-4 Da