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Benz[g]indolo[2,3-a]quinolizine, yohimban-16-carbonitrile deriv.
SpectraBase Compound ID AcUrDvYloEo
InChI InChI=1S/C21H25N3O2/c1-26-21-16(10-22)15-9-18-20-14(13-4-2-3-5-17(13)23-20)6-7-24(18)11-12(15)8-19(21)25/h2-5,12,15-16,18-19,21,23,25H,6-9,11H2,1H3/t12-,15-,16?,18-,19?,21?/m0/s1
InChIKey QMQNTOWPVKEGMY-FWLXSWBBSA-N
Mol Weight 351.45 g/mol
Molecular Formula C21H25N3O2
Exact Mass 351.194677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CSTpAQNGDym
Name Benz[g]indolo[2,3-a]quinolizine, yohimban-16-carbonitrile deriv.
Alternate Name(s) Yohimban-16-carbonitrile, 18-hydroxy-17-methoxy-, (16.beta.,17.alpha.,18.beta.,20.alpha.)-(.+-.)- 18-hydroxy-17-methoxyyohimban-16-carbonitrile
CAS Registry Number 129265-26-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25N3O2
InChI InChI=1S/C21H25N3O2/c1-26-21-16(10-22)15-9-18-20-14(13-4-2-3-5-17(13)23-20)6-7-24(18)11-12(15)8-19(21)25/h2-5,12,15-16,18-19,21,23,25H,6-9,11H2,1H3/t12-,15-,16?,18-,19?,21?/m0/s1
InChIKey QMQNTOWPVKEGMY-FWLXSWBBSA-N
Molecular Weight 351.450 g/mol
SMILES [nH]1c2ccccc2c2c1[C@@]1(C[C@]3([C@@](CC(C(C3C#N)OC)O)(CN1CC2)[H])[H])[H]
SPLASH splash10-0udi-0639000000-2c87e7e61cc8b1d95a47
Source of Spectrum C-112-7691-39
Wiley ID 1342715