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AJMALICININE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

AJMALICININE
SpectraBase Compound ID BJV8gP7MxD5
InChI InChI=1S/C21H26N2O4/c1-11-15-10-23-8-7-13-12-5-3-4-6-16(12)22-19(13)17(23)9-14(15)18(20(24)26-2)21(25)27-11/h3-6,11,14-15,17-18,21-22,25H,7-10H2,1-2H3/t11-,14-,15+,17-,18?,21+/m0/s1
InChIKey PRWUPBRXUFNHBE-PZTTUDCMSA-N
Mol Weight 370.45 g/mol
Molecular Formula C21H26N2O4
Exact Mass 370.189257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LkxIlkbSGZw
Name 4H-Indolo[2,3-a]pyrano[3,4-g]quinolizine, oxayohimban-16-carboxylic acid deriv.
CAS Registry Number 55529-55-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N2O4
InChI InChI=1S/C21H26N2O4/c1-11-15-10-23-8-7-13-12-5-3-4-6-16(12)22-19(13)17(23)9-14(15)18(20(24)26-2)21(25)27-11/h3-6,11,14-15,17-18,21-22,25H,7-10H2,1-2H3/t11-,14-,15+,17-,18?,21+/m0/s1
InChIKey PRWUPBRXUFNHBE-PZTTUDCMSA-N
Molecular Weight 370.449 g/mol
SMILES [nH]1c2ccccc2c2c1[C@@]1(C[C@@]3(C([C@@](O[C@]([C@]3(CN1CC2)[H])(C)[H])(O)[H])C(=O)OC)[H])[H]
SPLASH splash10-0apr-0907000000-a0ec2e2df55b28125f43
Source of Spectrum KC-1985-925-5
Synonyms Oxayohimban-16-carboxylic acid, 17-hydroxy-19-methyl-, methyl ester, (16.alpha.,17.beta.,19.alpha.)- Ajmalicinine cis 17-hydroxy-16,17-dihydroajmalicine Methyl 1,11-diaza-18-oxa-19-methylpentacyclo[12.7.0(6,10).(4,12).0(1,13).0(15,20)]heneicosa-4(12),5(10),6,88-tetraene-16-carboxylate
Wiley ID 1354377