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Mitragynine

View entire compound with spectra: 1 NMR, and 8 MS (GC)

Mitragynine
SpectraBase Compound ID H7O47B34W2u
InChI InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13-
InChIKey LELBFTMXCIIKKX-LGMDPLHJSA-N
Mol Weight 398.5 g/mol
Molecular Formula C23H30N2O4
Exact Mass 398.220557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 55r5tbeQ6q
Name (Z)-2-(3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)-3-methoxy-2-propenoic acid methyl ester
CAS Registry Number 4697-67-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30N2O4
InChI InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13-
InChIKey LELBFTMXCIIKKX-LGMDPLHJSA-N
Molecular Weight 398.503 g/mol
SMILES [nH]1c2c(c3c1C1CC(C(CN1CC3)CC)\C(=C\OC)C(=O)OC)c(ccc2)OC
SPLASH splash10-0002-0149000000-590d460aea211399f8c6
Source of Spectrum F-25-5964-4
Synonyms (Z)-2-(3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydropyrido[2,1-a]$b-carbolin-2-yl)-3-methoxy-acrylic acid methyl ester 17,18-Seco-3.beta.,20.alpha.-yohimban-16-carboxylic acid, 16,17-didehydro-9,17-dimethoxy-, methyl ester, (E)- 17,18-Seco-3.beta.-yohimban-16-carboxylic acid, 16,17-didehydro-9,17-dimethoxy-, methyl ester, (E)- 17,18-Secoyohimban-16-carboxylic acid, 16,17-didehydro-9,17-dimethoxy-, methyl ester, (E)- Corynan-16-carboxylic acid, 16,17-didehydro-9,17-dimethoxy-, methyl ester, (16E)- 9-Methoxycorynantheidine Corynan-16-carboxylic acid, 16,17-didehydro-9,17-dimethoxy-, methyl ester, (16E,20.beta.)- Corynan-16-carboxylic acid, 16,17-didehydro-9,17-dimethoxy-, methyl ester, (3.beta.,16E)- Corynan-16-carboxylic acid, 16,17-didehydro-9,17-dimethoxy-, methyl ester, (3.beta.,16E,20.beta.)- Indolo[2,3-a]quinolizine, corynan-16-carboxylic acid deriv. Methyl (Z)-2-(3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)-3-methoxy-prop-2-enoate Mitraciliatin Mitraciliatine Mitragynin Mitragynine Speciocilatine Speciociliatin Speciociliatine Speciogynin Speciogynine SK&F 12711 SKF 12711
Wiley ID 1368475