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19-Epiajmalicine
SpectraBase Compound ID 5HQpH7J001S
InChI InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15+,16-,19+/m1/s1
InChIKey GRTOGORTSDXSFK-XIEZEKGWSA-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 8IuHffopOYy
Name Ajmalicine
CAS Registry Number 483-04-5
Classification Kratom alkaloid
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 352.178692638 u
Formula C21H24N2O3
InChI InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15+,16-,19+/m1/s1
InChIKey GRTOGORTSDXSFK-XIEZEKGWSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 352.434 g/mol
Nominal Mass 352 u
Quality 988
Retention Index 2989
SMILES [C@@]12([C@](CN3[C@](C4=C(C=5C(N4)=CC=CC5)CC3)(C2)[H])([C@](OC=C1C(OC)=O)(C)[H])[H])[H]
SPLASH splash10-0udi-1935000000-b4e372d02d5e28f20404
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Alkaloid Raubasin Tetrahydroserpentin delta-Yohimbin Methyl (1S,15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20] \rhenicosa-2(10),4,6,8,18-pentaene-19-carboxylate
Technique GC/MS
Wiley ID DD2024_030951