Chem
J-GLOBAL ID:200907004867874360   Nikkaji number:J2.504.426F

(5R)-5β-(3,5-Dimethoxy-4-hydroxyphenyl)-9α-(acetylamino)-5,5aα,6,8,8aβ,9-hexahydrofuro[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxole-6-one

(5R)-5β-(3,5-ジメトキシ-4-ヒドロキシフェニル)-9α-(アセチルアミノ)-5,5aα,6,8,8aβ,9-ヘキサヒドロフロ[3′,4′:6,7]ナフト[2,3-d]-1,3-ジオキソール-6-オン
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C23H23NO8
Molecular formula furigana: C23-H23-N-O8
Molecular weight: 441.436
InChI: InChI=1S/C23H23NO8/c1-10(25)24-21-13-7-16-15(31-9-32-16)6-12(13)19(20-14(21)8-30-23(20)27)11-4-17(28-2)22(26)18(5-11)29-3/h4-7,14,19-21,26H,8-9H2,1-3H3,(H,24,25)/t14-,19+,20-,21+/m0/s1
InChI key: VGDKJYKXJHYUJX-MYDCNYLUSA-N
SMILES: COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](NC(=O)C)c2cc3OCOc3cc12
Systematic name  (4):
  • (5R)-5β-(4-ヒドロキシ-3,5-ジメトキシフェニル)-7α-(ヒドロキシメチル)-8α-(アセチルアミノ)-5,6,7,8-テトラヒドロナフト[2,3-d]-1,3-ジオキソール-6β-カルボン酸6,7-ラクトン
  • (5R)-5β-(3,5-ジメトキシ-4-ヒドロキシフェニル)-9α-(アセチルアミノ)-5,5aα,6,8,8aβ,9-ヘキサヒドロフロ[3′,4′:6,7]ナフト[2,3-d]-1,3-ジオキソール-6-オン
  • N-[(10S,11S,15R,16R)-16-(4-ヒドロキシ-3,5-ジメトキシフェニル)-14-オキソ-4,6,13-トリオキサテトラシクロ[7.7.0.03,7.011,15]ヘキサデカ-1,3(7),8-トリエン-10-イル]アセトアミド
  • N-[(10S,11S,15R,16R)-16-(4-hydroxy-3,5-dimethoxyphenyl)-14-oxo-4,6,13-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3(7),8-trien-10-yl]acetamide
Other name (2):
  • (5R)-5β-(4-Hydroxy-3,5-dimethoxyphenyl)-7α-(hydroxymethyl)-8α-(acetylamino)-5,6,7,8-tetrahydronaphtho[2,3-d]-1,3-dioxole-6β-carboxylic acid 6,7-lactone
  • (5R)-5β-(3,5-Dimethoxy-4-hydroxyphenyl)-9α-(acetylamino)-5,5aα,6,8,8aβ,9-hexahydrofuro[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxole-6-one
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