Chem
J-GLOBAL ID：200907017013360324   Nikkaji number：J911.974D

(5R)-5,8,8a,9-Tetrahydro-9α-[(6-O-methyl-β-D-glucopyranuronosyl)oxy]-5β-[3,5-dimethoxy-4-[(benzyloxycarbonyl)oxy]phenyl]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-[(ベンジルオキシカルボニル)オキシ]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： C36H36O16
Molecular formula furigana： C36-H36-O16
Molecular weight： 724.668
InChI： InChI=1S/C36H36O16/c1-43-23-9-17(10-24(44-2)31(23)52-36(42)47-13-16-7-5-4-6-8-16)25-18-11-21-22(49-15-48-21)12-19(18)30(20-14-46-33(40)26(20)25)50-35-29(39)27(37)28(38)32(51-35)34(41)45-3/h4-12,20,25-30,32,35,37-39H,13-15H2,1-3H3/t20?,25-,26+,27+,28+,29-,30-,32+,35-/m1/s1
InChI key： BCJSMOBTOCEIAM-IMUHELGFSA-N
SMILES： COC(=O)[C@H]1O[C@@H](O[C@H]2C3COC(=O)[C@@H]3[C@H](c3cc(OC)c(OC(=O)OCc4ccccc4)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-[(ベンジルオキシカルボニル)オキシ]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)-6-{[(10S,15R,16R)-16-(4-{[(ベンジルオキシ)カルボニル]オキシ}-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}-3,4,5-トリヒドロキシオキサン-2-カルボキシラート
  • methyl (2S,3S,4S,5R,6R)-6-{[(10S,15R,16R)-16-(4-{[(benzyloxy)carbonyl]oxy}-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}-3,4,5-trihydroxyoxane-2-carboxylate
Other name (1)：
  • (5R)-5,8,8a,9-Tetrahydro-9α-[(6-O-methyl-β-D-glucopyranuronosyl)oxy]-5β-[3,5-dimethoxy-4-[(benzyloxycarbonyl)oxy]phenyl]furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aαH)-one
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