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Yohimbinic acid
SpectraBase Compound ID LW8BlgeqSJO
InChI InChI=1S/C20H24N2O3/c23-17-6-5-11-10-22-8-7-13-12-3-1-2-4-15(12)21-19(13)16(22)9-14(11)18(17)20(24)25/h1-4,11,14,16-18,21,23H,5-10H2,(H,24,25)/t11-,14-,16-,17?,18?/m0/s1
InChIKey AADVZSXPNRLYLV-ZNPMUWAKSA-N
Mol Weight 340.42 g/mol
Molecular Formula C20H24N2O3
Exact Mass 340.178693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6VJWYmAwyyU
Name Yohimbinic acid
CAS Registry Number 522-87-2
Classification Pharmaceutical drug precursor
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 340.178692638 u
Formula C20H24N2O3
InChI InChI=1S/C20H24N2O3/c23-17-6-5-11-10-22-8-7-13-12-3-1-2-4-15(12)21-19(13)16(22)9-14(11)18(17)20(24)25/h1-4,11,14,16-18,21,23H,5-10H2,(H,24,25)/t11-,14-,16-,17?,18?/m0/s1
InChIKey AADVZSXPNRLYLV-ZNPMUWAKSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 340.423 g/mol
Nominal Mass 340 u
Quality 904
SMILES OC1CC[C@@]2([C@@](C1C(=O)O)(C[C@@]1(N(C2)CCC2=C1NC=1C2=CC=CC1)[H])[H])[H]
SPLASH splash10-0553-2914000000-720879ab92e2a78c4b47
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 17alpha-Hydroxy-16alpha-yohimbanecarboxylic acid
Technique DI/MS
Wiley ID DD2024_004267