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Yohimban-16-carboxylic acid, 17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (16.beta.,17.alpha.,18.beta.,20.alpha.)-

View entire compound with spectra: 1 MS (GC)

Yohimban-16-carboxylic acid, 17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (16.beta.,17.alpha.,18.beta.,20.alpha.)-
SpectraBase Compound ID I3HHpoMNeVA
InChI InChI=1S/C32H38N2O8/c1-37-24-12-17(13-25(38-2)29(24)39-3)31(35)42-26-14-18-16-34-11-10-20-19-8-6-7-9-22(19)33-28(20)23(34)15-21(18)27(30(26)40-4)32(36)41-5/h6-9,12-13,18,21,23,26-27,30,33H,10-11,14-16H2,1-5H3/t18-,21+,23+,26-,27+,30+/m1/s1
InChIKey CVBMAZKKCSYWQR-WYMSHZIGSA-N
Mol Weight 578.7 g/mol
Molecular Formula C32H38N2O8
Exact Mass 578.262816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I4BoMol6LKz
Name Yohimban-16-carboxylic acid, 17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (16.beta.,17.alpha.,18.beta.,20.alpha.)-
CAS Registry Number 482-87-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H38N2O8
InChI InChI=1S/C32H38N2O8/c1-37-24-12-17(13-25(38-2)29(24)39-3)31(35)42-26-14-18-16-34-11-10-20-19-8-6-7-9-22(19)33-28(20)23(34)15-21(18)27(30(26)40-4)32(36)41-5/h6-9,12-13,18,21,23,26-27,30,33H,10-11,14-16H2,1-5H3/t18-,21+,23+,26-,27+,30+/m1/s1
InChIKey CVBMAZKKCSYWQR-WYMSHZIGSA-N
Molecular Weight 578.662 g/mol
SMILES [nH]1c2ccccc2c2c1[C@]1(N(CC2)C[C@]2(C[C@]([C@@]([C@]([C@]2(C1)[H])(C(=O)OC)[H])(OC)[H])(OC(c1cc(OC)c(c(c1)OC)OC)=O)[H])[H])[H]
SPLASH splash10-00or-0237090000-d274f79c8f4b9e05f18e
Source of Spectrum AD-0-2589-0
Synonyms Methyl 17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate (16beta,17alpha,18beta,20alpha)-17-methoxy-16-(methoxycarbonyl)yohimban-18-yl 3,4,5-trimethoxybenzoate (1S,2R,3R,4aS,13bS,14aS)-2-methoxy-3-(3,4,5-trimethoxybenzoyl)oxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroisoquinolino[3,2-a]$b-carboline-1-carboxylic acid methyl ester 20.alpha.-yohimban-16.beta.-carboxylic acid, 18.beta.-hydroxy-17.alpha.-methoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester) 3-Isodeserpidine Isodeserpidine Yohimban-16-carboxylic acid, 17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (16beta,17alpha,18beta,20alpha)-
Wiley ID 1408363