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Methyl 17-hydroxy-11-methoxyyohimban-16-carboxylate
SpectraBase Compound ID C5Qv42DdXZ5
InChI InChI=1S/C22H28N2O4/c1-27-13-4-5-14-15-7-8-24-11-12-3-6-19(25)20(22(26)28-2)16(12)10-18(24)21(15)23-17(14)9-13/h4-5,9,12,16,18-20,23,25H,3,6-8,10-11H2,1-2H3
InChIKey DBCVUIBEXPYXAJ-UHFFFAOYSA-N
Mol Weight 384.48 g/mol
Molecular Formula C22H28N2O4
Exact Mass 384.204907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BMcJ1ALGaGG
Name Methyl 17-hydroxy-11-methoxyyohimban-16-carboxylate
CAS Registry Number 84710-88-3
Comments Edited after expert review for CHCl3 contamination - Original record with SpectrumID 1361677 moved to the Legacy library
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28N2O4
InChI InChI=1S/C22H28N2O4/c1-27-13-4-5-14-15-7-8-24-11-12-3-6-19(25)20(22(26)28-2)16(12)10-18(24)21(15)23-17(14)9-13/h4-5,9,12,16,18-20,23,25H,3,6-8,10-11H2,1-2H3
InChIKey DBCVUIBEXPYXAJ-UHFFFAOYSA-N
Molecular Weight 384.476 g/mol
SMILES OC1C(C2CC3c4[nH]c5cc(OC)ccc5c4CCN3CC2CC1)C(=O)OC
SPLASH splash10-001i-1229000000-f609d722bcad5393a59c
Source of Spectrum W5-1989-35111-30425
Synonyms 11-Methoxy-.alpha.-yohimbine 11-Methoxyrauwolscine 11.alpha.-methoxy-yohimbine Methyl 17-hydroxy-11-methoxy-2,7-dihydroyohimban-16-carboxylate Yohimban-16-carboxylic acid, 17-hydroxy-11-methoxy-, methyl ester, (16beta,17alpha,20alpha)-
Wiley ID 1821407