Spectrum VF-NPL-QEHF020695 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
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+
C25H32O2
364.240230264
OC=1C=C(C=C(OC)C1CC=C(C)CCC=C(C)C)CCC=2C=CC=CC2
ZDSBUUDXDQSCSK-DEDYPNTBSA-N

Mass Spectral Metadata

NameValue
35HCD
MX_UC_1910_p24_F10_9.raw
14
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.3748667051083108
0.4356723448822552
363.2329406738281
[M-H]-
0.037414480773014534 ppm
-1.3590171874966472E-5 Da