9-[(7',8'-Dihydroxy-1-methylhexahydrospiro[piperidine-4,2'-pyrano[3,2-d][1,3]dioxin]-6'-yl)oxy]-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one--hydrogen chloride (1/1)

HCID 192021

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基本情報

CAS: 72823-92-8
標準SMILES: COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5COC6(CCN(C)CC6)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O.Cl
InChIKey: BDVVLVNGXLFJBB-NDCBBRKYSA-N
分子式: C33H40ClNO13
平均分子量: 694.13 g/mol
単同位体質量: 693.21881802

優先名称: 9-[(7',8'-Dihydroxy-1-methylhexahydrospiro[piperidine-4,2'-pyrano[3,2-d][1,3]dioxin]-6'-yl)oxy]-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one--hydrogen chloride (1/1)
IUPAC: (5R,5aR,8aR,9S)-9-{[(4'aR,6'R,7'R,8'R,8'aS)-7',8'-Dihydroxy-1-methylhexahydrospiro[piperidine-4,2'-pyrano[3,2-d][1,3]dioxin]-6'-yl]oxy}-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one--hydrogen chloride (1/1)

読み込み中…

CAS: 72823-92-8
標準SMILES: COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5COC6(CCN(C)CC6)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O.Cl
InChIKey: BDVVLVNGXLFJBB-NDCBBRKYSA-N
分子式: C33H40ClNO13
平均分子量: 694.13 g/mol
単同位体質量: 693.21881802

優先名称: 9-[(7',8'-Dihydroxy-1-methylhexahydrospiro[piperidine-4,2'-pyrano[3,2-d][1,3]dioxin]-6'-yl)oxy]-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one--hydrogen chloride (1/1)
IUPAC: (5R,5aR,8aR,9S)-9-{[(4'aR,6'R,7'R,8'R,8'aS)-7',8'-Dihydroxy-1-methylhexahydrospiro[piperidine-4,2'-pyrano[3,2-d][1,3]dioxin]-6'-yl]oxy}-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one--hydrogen chloride (1/1)

読み込み中…