Chem
J-GLOBAL ID：200907053848335513   Nikkaji number：J911.971J

(5R)-5,8,8a,9-Tetrahydro-9α-[(6-O-methyl-β-D-glucopyranuronosyl)oxy]-5β-(3,5-dimethoxy-4-hydroxyphenyl)furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aαH)-one

(5R)-5,8,8a,9-テトラヒドロ-9α-[(6-O-メチル-β-D-グルコピラヌロノシル)オキシ]-5β-(3,5-ジメトキシ-4-ヒドロキシフェニル)フロ[3′,4′:6,7]ナフト[2,3-d]-1,3-ジオキソール-6(5aαH)-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： C28H30O14
Molecular formula furigana： C28-H30-O14
Molecular weight： 590.534
InChI： InChI=1S/C28H30O14/c1-35-16-4-10(5-17(36-2)20(16)29)18-11-6-14-15(40-9-39-14)7-12(11)24(13-8-38-26(33)19(13)18)41-28-23(32)21(30)22(31)25(42-28)27(34)37-3/h4-7,13,18-19,21-25,28-32H,8-9H2,1-3H3/t13?,18-,19+,21+,22+,23-,24-,25+,28-/m1/s1
InChI key： KIYUEHBCHHURLW-LROYQSOCSA-N
SMILES： COC(=O)[C@H]1O[C@@H](O[C@H]2C3COC(=O)[C@@H]3[C@H](c3cc(OC)c(O)c(OC)c3)c3cc4OCOc4cc23)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • (5R)-5,8,8a,9-テトラヒドロ-9α-[(6-O-メチル-β-D-グルコピラヌロノシル)オキシ]-5β-(3,5-ジメトキシ-4-ヒドロキシフェニル)フロ[3′,4′:6,7]ナフト[2,3-d]-1,3-ジオキソール-6(5aαH)-オン
  • メチル (2S,3S,4S,5R,6R)-3,4,5-トリヒドロキシ-6-{[(10S,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]オキシ}オキサン-2-カルボキシラート
  • methyl (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(10S,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]oxy}oxane-2-carboxylate
Other name (1)：
  • (5R)-5,8,8a,9-Tetrahydro-9α-[(6-O-methyl-β-D-glucopyranuronosyl)oxy]-5β-(3,5-dimethoxy-4-hydroxyphenyl)furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aαH)-one
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