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HGETUWYWRJCXST-KXJLHWQRSA-N

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HGETUWYWRJCXST-KXJLHWQRSA-N
SpectraBase Compound ID 7y4t1nxC4qs
InChI InChI=1S/C33H42N2O9/c1-38-22-7-8-23(25(34)16-22)18-9-10-35-17-20-14-28(31(42-5)29(33(37)43-6)24(20)15-21(35)11-18)44-32(36)19-12-26(39-2)30(41-4)27(13-19)40-3/h7-8,11-13,16,20-21,24,28-29,31H,9-10,14-15,17,34H2,1-6H3/t20-,21-,24+,28-,29+,31+/m1/s1
InChIKey HGETUWYWRJCXST-KXJLHWQRSA-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 4RPvbTHUxJ5
Name (2R,3R,4S,4aS,9aS,10aS)-6-(2-Amino-4-methoxyphenyl)-3-methoxy-4-methoxycarbonyldodecahydro-8a-azaanthracen-2-yl 3,4,5-trimethoxybenzoate
Alternate Name(s) 6-(2-Amino-4-methoxyphenyl)-3-methoxy-4-methoxycarbonyldodecahydro-9-azaanthracen-2-yl 3,4,5-trimethoxybenzoate Methyl (6aS,8R,9R,10S,10aS,11aS)-2-(2-amino-4-methoxyphenyl)-9-methoxy-8-[(3,4,5-trimethoxybenzoyl)oxy]-3,6,6a,7,8,9,10,10a,11,11a-decahydro-4H-pyrido[1,2-b]isoquinoline-10-carboxylate (6aS,8R,9R,10S,10aS,11aS)-2-(2-amino-4-methoxyphenyl)-9-methoxy-8-[oxo-(3,4,5-trimethoxyphenyl)methoxy]-4,6,6a,7,8,9,10,10a,11,11a-decahydro-3H-benzo[b]quinolizine-10-carboxylic acid methyl ester Methyl (6aS,8R,9R,10S,10aS,11aS)-2-(2-amino-4-methoxyphenyl)-9-methoxy-8-(3,4,5-trimethoxybenzoyl)oxy-4,6,6a,7,8,9,10,10a,11,11a-decahydro-3H-benzo[b]quinolizine-10-carboxylate Methyl (6aS,8R,9R,10S,10aS,11aS)-2-(2-amino-4-methoxy-phenyl)-9-methoxy-8-(3,4,5-trimethoxybenzoyl)oxy-4,6,6a,7,8,9,10,10a,11,11a-decahydro-3H-benzo[b]quinolizine-10-carboxylate Methyl (6aS,8R,9R,10S,10aS,11aS)-2-(2-azanyl-4-methoxy-phenyl)-9-methoxy-8-(3,4,5-trimethoxyphenyl)carbonyloxy-4,6,6a,7,8,9,10,10a,11,11a-decahydro-3H-benzo[b]quinolizine-10-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H42N2O9
InChI InChI=1S/C33H42N2O9/c1-38-22-7-8-23(25(34)16-22)18-9-10-35-17-20-14-28(31(42-5)29(33(37)43-6)24(20)15-21(35)11-18)44-32(36)19-12-26(39-2)30(41-4)27(13-19)40-3/h7-8,11-13,16,20-21,24,28-29,31H,9-10,14-15,17,34H2,1-6H3/t20-,21-,24+,28-,29+,31+/m1/s1
InChIKey HGETUWYWRJCXST-KXJLHWQRSA-N
Molecular Weight 610.704 g/mol
SMILES Nc1c(C2=C[C@]3(N(CC2)C[C@@]2([C@@]([C@@]([C@]([C@](OC(c4cc(OC)c(c(c4)OC)OC)=O)(C2)[H])(OC)[H])(C(=O)OC)[H])(C3)[H])[H])[H])ccc(OC)c1
SPLASH splash10-01ot-0219005000-7af22c6cfbf441f07888
Source of Spectrum H1-51-2947-8
Wiley ID 817447