Sulfuric acid--methyl 15-[5-ethyl-5-hydroxy-9-(methoxycarbonyl)-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indol-9-yl]-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate (1/1)

HCID 209294

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基本情報

CAS: 19694-26-9
標準SMILES: CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@@H]3C45CCN4CC=C[C@](CC)([C@H]45)[C@@H](O)[C@]3(O)C(=O)OC)C2)C1.O=S(=O)(O)O
InChIKey: VSMLZADJIZSDKN-MEFFJABKSA-N
分子式: C44H58N4O12S
平均分子量: 867.031 g/mol
単同位体質量: 866.3771943

優先名称: Sulfuric acid--methyl 15-[5-ethyl-5-hydroxy-9-(methoxycarbonyl)-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indol-9-yl]-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate (1/1)
IUPAC: Sulfuric acid--methyl 15-[(5S,7S,9S)-5-ethyl-5-hydroxy-9-(methoxycarbonyl)-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indol-9-yl]-3beta,4beta-dihydroxy-16-methoxy-1-methyl-2beta,5alpha,19alpha-6,7-didehydroaspidospermidine-3alpha-carboxylate (1/1)

読み込み中…

CAS: 19694-26-9
標準SMILES: CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@@H]3C45CCN4CC=C[C@](CC)([C@H]45)[C@@H](O)[C@]3(O)C(=O)OC)C2)C1.O=S(=O)(O)O
InChIKey: VSMLZADJIZSDKN-MEFFJABKSA-N
分子式: C44H58N4O12S
平均分子量: 867.031 g/mol
単同位体質量: 866.3771943

優先名称: Sulfuric acid--methyl 15-[5-ethyl-5-hydroxy-9-(methoxycarbonyl)-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indol-9-yl]-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate (1/1)
IUPAC: Sulfuric acid--methyl 15-[(5S,7S,9S)-5-ethyl-5-hydroxy-9-(methoxycarbonyl)-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indol-9-yl]-3beta,4beta-dihydroxy-16-methoxy-1-methyl-2beta,5alpha,19alpha-6,7-didehydroaspidospermidine-3alpha-carboxylate (1/1)

読み込み中…