Gelsemine

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Systematic / IUPAC Name: 4'-Methyl-2'-vinylspiro[indole-3,7'-[9]oxa[4]azatetracyclo[6.3.1.02,6 05,11]dodecan]-2(1H)-one

ID: Reference2159

Other Names: Gelsemin

Formula: C20H22N2O2

Class: Natural Toxins Endogenous Metabolites Natural Products/Medicines

Spectral Data

Gelsemine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/2/2015 2:56:58 PM
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Identificators

InChI InChI=1S/C20H22N2O2/c1-3-19-10-22(2)16-11-9-24-15(8-13(11)19)20(17(16)19)12-6-4-5-7-14(12)21-18(20)23/h3-7,11,13,15-17H,1,8-10H2,2H3,(H,21,23)
InChI Key NFYYATWFXNPTRM-UHFFFAOYSA-N
Canonical SMILES CN1CC2(C3CC4C5(C2C1C3CO4)C6=CC=CC=C6NC5=O)C=C
CAS 509159
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Other Names Gelsemin

In Other Databases

ChemSpider 245682
PubChem 279057
ChEMBL CHEMBL1979576
Wikipedia Gelsemine