Catharanthine

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Systematic / IUPAC Name: Methyl (2α,5β,18β)-3,4-didehydroibogamine-18-carboxylate

ID: Reference6199

Other Names: Methyl (2α,5β,6α)-3,4-didehydroibogamine-18β-carboxylate;
(+)-3,4-Didehydrocoronaridine

Formula: C21H24N2O2

Class: Endogenous Metabolites Natural Products/Medicines

Spectral Data

Catharanthine 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 Orbitrap Elite; Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 819
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers IT; FT
Last Modification 1/11/2017 9:58:05 AM
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Identificators

InChI InChI=1S/C21H24N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,10,13,19,22H,3,8-9,11-12H2,1-2H3/t13-,19+,21-/m0/s1
InChI Key CMKFQVZJOWHHDV-NQZBTDCJSA-N
Canonical SMILES CCC1=CC2CC3(C1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC
CAS 2468215
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Other Names Methyl (2α,5β,6α)-3,4-didehydroibogamine-18β-carboxylate;
(+)-3,4-Didehydrocoronaridine

In Other Databases

ChemSpider 4572197
KEGG C09107
PubChem 5458190
ChEMBL CHEMBL2163793
Wikipedia Catharanthine