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17a-hydroxyyohimban-16b-carboxylic acid, methyl ester, monohydrochloride, dihydrate

View entire compound with spectra: 1 NMR, and 1 FTIR

17a-hydroxyyohimban-16b-carboxylic acid, methyl ester, monohydrochloride, dihydrate
SpectraBase Compound ID EM64bZJD5BK
InChI InChI=1S/C21H26N2O3.ClH.2H2O/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;1H;2*1H2/t12-,15-,17-,18-,19-;;;/m0.../s1
InChIKey OOIZAMYWLGECQM-JWIYSOGOSA-N
Mol Weight 426.941 g/mol
Molecular Formula C21H31ClN2O5
Exact Mass 426.19215 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 5b3xfqzgWdE
Name CORYNANTHINE, HYDROCHLORIDE, DIHYDRATE
Source of Sample Fluka Chemie AG, Buchs, Switzerland
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31ClN2O5
InChI InChI=1S/C21H26N2O3.ClH.2H2O/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;1H;2*1H2/t12-,15-,17-,18-,19-;;;/m0.../s1
InChIKey OOIZAMYWLGECQM-JWIYSOGOSA-N
Molecular Weight 426.937988
Synonyms CORYNANTHINE, HYDROCHLORIDE, DI- HYDRATE
Technique KBr WAFER