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(.+-.)-15,16-Didehydroyohimbinone
SpectraBase Compound ID 1Asp8htXtDd
InChI InChI=1S/C21H22N2O3/c1-26-21(25)16-8-13-11-23-7-6-15-14-4-2-3-5-17(14)22-20(15)18(23)9-12(13)10-19(16)24/h2-5,16,18,22H,6-11H2,1H3/t16?,18-/m0/s1
InChIKey IYNZLRINGNBKQX-DAFXYXGESA-N
Mol Weight 350.42 g/mol
Molecular Formula C21H22N2O3
Exact Mass 350.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6SGRZo1ZB9b
Name (.+-.)-15,16-Didehydroyohimbinone
Alternate Name(s) Yohimban-18-carboxylic acid, 15,20-didehydro-17-oxo-, (.+-.)- Yohimban-16-carboxylic acid, 15,16-didehydro-17-oxo-, methyl ester, (.+-.)- Benz[g]indolo[2,3-a]quinolizine, yohimban deriv. Benz[g]indolo[2,3-a]quinolizine, yohimban-18-carboxylic acid deriv. Methyl 17-oxo-15,20-didehydroyohimban-18-carboxylate Methyl ester of 17-oxo-15,20-didehydroyohimban-18-carboxylic acid Mixture of: 15,20-didehydroyohimbinon and methylester of 17-oxo-15,20-didchydroyohimban-18-carboxylic acid and 15,16-didehydroyohimbinon
CAS Registry Number 36069-26-8
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Formula C21H22N2O3
InChI InChI=1S/C21H22N2O3/c1-26-21(25)16-8-13-11-23-7-6-15-14-4-2-3-5-17(14)22-20(15)18(23)9-12(13)10-19(16)24/h2-5,16,18,22H,6-11H2,1H3/t16?,18-/m0/s1
InChIKey IYNZLRINGNBKQX-DAFXYXGESA-N
Molecular Weight 350.418 g/mol
SMILES [nH]1c2ccccc2c2c1[C@]1(N(CC2)CC2=C(C1)CC(C(C2)C(=O)OC)=O)[H]
SPLASH splash10-0gc0-0719000000-80484ba967a5ca0999a4
Source of Spectrum K-109-1742-0
Wiley ID 1342069