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Reserpine

View entire compound with spectra: 4 NMR, 2 FTIR, 2 Raman, and 3 MS (GC)

Reserpine
SpectraBase Compound ID HkI99YVTXDQ
InChI InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1
InChIKey QEVHRUUCFGRFIF-MDEJGZGSSA-N
Mol Weight 608.7 g/mol
Molecular Formula C33H40N2O9
Exact Mass 608.273381 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3SZXNQNVQxN
Name 11,17alpha-DIMETHOXY-18beta-HYDROXY-3beta,20alpha-YOHIMBAN-16beta-CARBOXYLIC ACID, METHYL ESTER, 3,4,5-TRIMETHOXYBENZOATE (ESTER)
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
Comments Some carbon atoms are unassigned
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H40N2O9
InChI InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1
InChIKey QEVHRUUCFGRFIF-MDEJGZGSSA-N
Melting Point 277-278C
Molecular Weight 608.67
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms RESERPINE BENZ/G/INDOLO/2,3-A/QUINOLIZINE-1- CARBOXYLIC ACID, 2,11-DIMETHOXY-1,2,3,- 4,4A,5,7,8,13,13B,14,14A-DODECAHYDRO-3- HYDROXY-, METHYL ESTER, 3,4,5-TRIMETHOXYBENZOATE (ESTER)