Rauwolscine

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Systematic / IUPAC Name: Methyl (16β,17α,20α)-17-hydroxyyohimban-16-carboxylate

ID: Reference6214

Other Names: α-Yohimbine;
meso-Yohimbine;
Corynanthidine;
Isoyohimbine;
17α-Hydroxy-20α-yohimban-16β-carboxylic acid methyl ester ; more

Formula: C21H26N2O3

Class: Endogenous Metabolites Natural Products/Medicines

Spectral Data

Rauwolscine 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
No. of Spectral Trees 1
No. of Spectra 3757
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers IT; FT
Last Modification 1/16/2017 9:29:41 AM
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Identificators

InChI 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+/m1/s1
InChI Key BLGXFZZNTVWLAY-DIRVCLHFSA-N
Canonical SMILES COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O
CAS 131033
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Other Names α-Yohimbine;
meso-Yohimbine;
Corynanthidine;
Isoyohimbine;
17α-Hydroxy-20α-yohimban-16β-carboxylic acid methyl ester;
20-α-Yohimban-16-β-carboxylic acid, 17-α-hydroxy-, methyl ester;
20α-Yohimban-16β-carboxylic acid, 17α-hydroxy-, methyl ester (8CI);
Methyl (1S,15S,18S,19S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;
Methyl 17α-hydroxy-20α-yohimban-16β-carboxylate;
Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16β,17α,20α)-;
Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (17α,20α)-;
Yohimban-16-carboxylicacid, 17-hydroxy-, methyl ester, (16b,17a,20a)-

In Other Databases

ChEMBL CHEMBL10347
PubChem 643606
ChemSpider 558737
Wikipedia Rauwolscine
ChEBI CHEBI:48562