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Yohimban-16-carboxylic acid, 17-oxo-, methyl ester, (15.beta.)-(.+-.)-
SpectraBase Compound ID EJFzpkgtEtD
InChI InChI=1S/C21H24N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17,19,22H,6-11H2,1H3/t12-,15+,17-,19?/m0/s1
InChIKey XRPLBLPRUDFFCC-JQIMJBCGSA-N
Mol Weight 352.43 g/mol
Molecular Formula C21H24N2O3
Exact Mass 352.178693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I9yf4aI1ODP
Name Yohimban-16-carboxylic acid, 17-oxo-, methyl ester, (15.beta.)-(.+-.)-
CAS Registry Number 59952-51-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24N2O3
InChI InChI=1S/C21H24N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17,19,22H,6-11H2,1H3/t12-,15+,17-,19?/m0/s1
InChIKey XRPLBLPRUDFFCC-JQIMJBCGSA-N
Molecular Weight 352.434 g/mol
SMILES [nH]1c2ccccc2c2c1[C@]1(N(CC2)C[C@@]2(CCC(C([C@@]2(C1)[H])C(=O)OC)=O)[H])[H]
SPLASH splash10-0v4i-0319000000-c66c9ee1a88f19f64d4d
Source of Spectrum K-109-1746-0
Synonyms Yohimban-16-carboxylic acid, 15,20-didehydro-17-hydroxy-, methyl ester, (.+-.)- (.+-.)-3-Epialloyohimbinone 16-Methoxycarbonyl-allo-yohimb-17-one Benz[g]indolo[2,3-a]quinolizine, yohimban-16-carboxylic acid deriv. Yohimb-15(20)-ene Methyl (15beta)-17-oxoyohimban-16-carboxylate
Wiley ID 1343427