Spectrum VF-NPL-QEHF011479 for YOHIMBINE

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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/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
C21H26N2O3
354.19434269199996
O=C(OC)C1C(O)CCC2CN3CCC=4C=5C=CC=CC5NC4C3CC12
BLGXFZZNTVWLAY-SCYLSFHTSA-N

Mass Spectral Metadata

NameValue
35HCD
NP_C2_33_p10_H09_POS_QEHF_1938.raw
12
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
1.9647427542263884
0.36876659516520827
355.2015686035156
[M+H]+
2.0948344548827547 ppm
-7.44088484339045E-4 Da