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Ibogamine-18-carboxylic acid, 14-[[(5.alpha.,12.beta.,19.alpha.)-2,3-didehydro-3-(methoxycarbonyl)a spidospermidin-17-yl]oxy]-13-methoxy-, methyl ester

View entire compound with spectra: 2 MS (GC)

Ibogamine-18-carboxylic acid, 14-[[(5.alpha.,12.beta.,19.alpha.)-2,3-didehydro-3-(methoxycarbonyl)a spidospermidin-17-yl]oxy]-13-methoxy-, methyl ester
SpectraBase Compound ID 62pdWfBK7m5
InChI InChI=1S/C43H52N4O6/c1-7-24-15-23-20-43(42(49)53-6)39-27(13-14-46(21-23)40(24)43)29-19-36(51-4)30(17-34(29)45-39)31-16-28-25(8-2)22-47(3,50)35(37(28)41(48)52-5)18-32-26-11-9-10-12-33(26)44-38(31)32/h8-12,17,19,23-24,28,31,35,37,40,44-45H,7,13-16,18,20-22H2,1-6H3/b25-8+/t23-,24?,28+,31?,35+,37+,40+,43-,47-/m1/s1
InChIKey FCBKMLKKVUOVOU-XASYBSJJSA-N
Mol Weight 720.9 g/mol
Molecular Formula C43H52N4O6
Exact Mass 720.388685 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Lqc3rzXGK
Name Ibogamine-18-carboxylic acid, 14-[[(5.alpha.,12.beta.,19.alpha.)-2,3-didehydro-3-(methoxycarbonyl)a spidospermidin-17-yl]oxy]-13-methoxy-, methyl ester
Alternate Name(s) Ibogamine-18-carboxylic acid, 12-methoxy-13-[(3.alpha.)-17-methoxy-17-oxovobasan-3-yl]-, methyl ester, N-oxide 2,6-Methano-1H-azecino[5,4-b]indole, ibogamine-18-carboxylic acid deriv. 1H-Indolizino[8,1-cd]carbazole, ibogamine-18-carboxylic acid deriv. 6,9-Methano-5H-pyrido[1',2':1,2]azepino[4,5-b]indole, ibogamine-18-carboxylic acid deriv. Methyl (15Z)-15-ethylidene-12-[12-methoxy-18-(methoxycarbonyl)ibogamin-13-yl]-17-methyl-10,17-diazatetracyclo[12.3.1.0(3,11).0(4,9)]octadeca-3(11),4,6,8-tetraene-18-carboxylate 17-oxide Aspidospermidine, ibogamine-18-carboxylic acid deriv. Methoxytetrastachyne Voacamin-N-oxide O-Methyltetrastachyne Voacamine 4-oxide Voacamine Nb-oxide Vobasan, ibogamine-18-carboxylic acid deriv.
CAS Registry Number 61542-16-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C43H52N4O6
InChI InChI=1S/C43H52N4O6/c1-7-24-15-23-20-43(42(49)53-6)39-27(13-14-46(21-23)40(24)43)29-19-36(51-4)30(17-34(29)45-39)31-16-28-25(8-2)22-47(3,50)35(37(28)41(48)52-5)18-32-26-11-9-10-12-33(26)44-38(31)32/h8-12,17,19,23-24,28,31,35,37,40,44-45H,7,13-16,18,20-22H2,1-6H3/b25-8+/t23-,24?,28+,31?,35+,37+,40+,43-,47-/m1/s1
InChIKey FCBKMLKKVUOVOU-XASYBSJJSA-N
Molecular Weight 720.911 g/mol
SMILES [nH]1c2ccccc2c2c1C(c1c(cc3c4CCN5[C@@]6([C@](c4[nH]c3c1)(C[C@](C5)(CC6CC)[H])C(=O)OC)[H])OC)C[C@@]1([C@@]([C@](C2)([N@@](C\C1=C\C)(=O)C)[H])(C(=O)OC)[H])[H]
SPLASH splash10-000i-0900012000-cd28173355c59fe96644
Source of Spectrum K-109-3533-0
Wiley ID 1415637