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Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (16.beta.,17.alpha.,18.beta.,20.alpha.)-
SpectraBase Compound ID 6IUWHVEmfMi
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
InChIKey QEVHRUUCFGRFIF-UHFFFAOYSA-N
Mol Weight 608.7 g/mol
Molecular Formula C33H40N2O9
Exact Mass 608.273381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BFo3NVY1Y
Name Reserpine
CAS Registry Number 50-55-5
Classification Antihypertensive
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 608.273380867 u
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
InChIKey QEVHRUUCFGRFIF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 608.688 g/mol
SMILES c1(cc(OC)c(OC)c(OC)c1)C(OC1C(C(C2C(CN3C(C2)c2[nH]c4c(c2CC3)ccc(c4)OC)C1)C(OC)=O)OC)=O
SPLASH splash10-0002-0953000000-e2fe5ee9ab4f5a9a97cf
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_1516