Spectrum VF-NPL-QTOF002451 for 15,16-dimethoxytricyclo[12.3.1.1²,⁶]nonadeca-1(18),2,4,6(19),14,16-hexaene-3,9,17-triol

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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
UTKZLHKWTSXNQI-UHFFFAOYSA-N
C21H26O5
358.178023932
OC1=CC=C2C=C1C3=CC(=C(OC)C(OC)=C3O)CCCCC(O)CC2
InChI=1S/C21H26O5/c1-25-20-14-5-3-4-6-15(22)9-7-13-8-10-18(23)16(11-13)17(12-14)19(24)21(20)26-2/h8,10-12,15,22-24H,3-7,9H2,1-2H3

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent 6530 Q-TOF
negative
Arpana Vaniya and Alberto Valdes Tabernero
10 V
MX_UC_1105
4.9145 minutes
1.845614651641317
0.5538719625417818
357.171
[M-H]-
0.7057347881235486 ppm
2.5206800000887597E-4 Da