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2,7-Dihydroreserpine [(3.beta.,16.beta.,17.alpha.,18.beta.,20.alpha.)-2,7-Dihydro-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxyloic acid methyl ester]
SpectraBase Compound ID rgNh2jlWb8
InChI InChI=1S/C33H42N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,21-22,24,27-29,31,34H,9-10,13,15-16H2,1-6H3/t18-,21+,22+,24-,27-,28+,29-,31+/m1/s1
InChIKey QJBGUWGDVNGYPU-DWZQFBKUSA-N
Mol Weight 610.7 g/mol
Molecular Formula C33H42N2O9
Exact Mass 610.289031 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AJAojpQya1N
Name 2,7-Dihydroreserpine [(3.beta.,16.beta.,17.alpha.,18.beta.,20.alpha.)-2,7-Dihydro-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxyloic acid methyl ester]
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Formula C33H42N2O9
InChI InChI=1S/C33H42N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,21-22,24,27-29,31,34H,9-10,13,15-16H2,1-6H3/t18-,21+,22+,24-,27-,28+,29-,31+/m1/s1
InChIKey QJBGUWGDVNGYPU-DWZQFBKUSA-N
Molecular Weight 610.704 g/mol
SMILES N1c2cc(ccc2[C@@]2(CCN3[C@@]([C@]12[H])(C[C@]1([C@@](C3)(C[C@]([C@@]([C@]1(C(=O)OC)[H])(OC)[H])(OC(c1cc(OC)c(c(c1)OC)OC)=O)[H])[H])[H])[H])[H])OC
SPLASH splash10-0uka-0290300000-3464c37176fc3c656dbf
Source of Spectrum F-52-9076-3
Synonyms (2beta,3beta,7beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-16-(methoxycarbonyl)-2,7-dihydroyohimban-18-yl 3,4,5-trimethoxybenzoate
Wiley ID 797364