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Yohimbinic acid

View entire compound with spectra: 1 MS (GC)

Yohimbinic acid
SpectraBase Compound ID Cr9d0tVhMgF
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-GKMXPDSGSA-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 3BbaVKv9Tmc
Name Yohimbinic acid
Alternate Name(s) 17-Hydroxyyohimban-16-carboxylic acid 17.alpha.-Hydroxyyohimban-16.alpha.-carboxylic acid Yohimban-16-carboxylic acid, 17-hydroxy-, (16.alpha.,17.alpha.)- Yohimbic Acid (1S,15R,18S,19R,20S)-18-oxidanyl-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid
CAS Registry Number 522-87-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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-GKMXPDSGSA-N
Molecular Weight 340.423 g/mol
SMILES [nH]1c2ccccc2c2c1[C@@]1(C[C@@]3([C@]([C@](CC[C@]3(CN1CC2)[H])(O)[H])(C(=O)O)[H])[H])[H]
SPLASH splash10-000l-0409000000-680d4df98f670e32114d
Source of Spectrum CJ-0-30-0
Wiley ID 1335322