Chem
J-GLOBAL ID：200907074224376255   Nikkaji number：J345.432K

(1S,2R)-Rabdosiin

(1S,2R)-ラブドシイン
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： C36H30O16
Molecular formula furigana： C36-H30-O16
Molecular weight： 718.620
InChI： InChI=1S/C36H30O16/c37-21-4-1-15(7-24(21)40)9-29(33(45)46)51-35(49)20-11-18-13-27(43)28(44)14-19(18)31(17-3-6-23(39)26(42)12-17)32(20)36(50)52-30(34(47)48)10-16-2-5-22(38)25(41)8-16/h1-8,11-14,29-32,37-44H,9-10H2,(H,45,46)(H,47,48)/t29-,30-,31+,32+/m1/s1
InChI key： VKWZFIDWHLCPHJ-ZRTHHSRSSA-N
SMILES： OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)[C@@H]1[C@@H](c2ccc(O)c(O)c2)c2cc(O)c(O)cc2C=C1C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O
Systematic name  (4)：
  • (1S)-1,2-ジヒドロ-1α-(3,4-ジヒドロキシフェニル)-6,7-ジヒドロキシナフタレン-2β,3-ジカルボン酸2,3-ビス[(R)-1-カルボキシ-2-(3,4-ジヒドロキシフェニル)エチル]
  • (1S)-1α-(3,4-ジヒドロキシフェニル)-1,2-ジヒドロ-6,7-ジヒドロキシナフタレン-2β,3-ジカルボン酸ビス[(R)-1-カルボキシ-2-(3,4-ジヒドロキシフェニル)エチル]
  • (2R)-2-[(1S,2R)-3-{[(1R)-1-カルボキシ-2-(3,4-ジヒドロキシフェニル)エトキシ]カルボニル}-1-(3,4-ジヒドロキシフェニル)-6,7-ジヒドロキシ-1,2-ジヒドロナフタレン-2-カルボニルオキシ]-3-(3,4-ジヒドロキシフェニル)プロパン酸
  • (2R)-2-[(1S,2R)-3-{[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2-carbonyloxy]-3-(3,4-dihydroxyphenyl)propanoic acid
Other name (4)：
  • (1S)-1,2-Dihydro-1α-(3,4-dihydroxyphenyl)-6,7-dihydroxynaphthalene-2β,3-dicarboxylic acid 2,3-bis[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl] ester
  • (1S)-1α-(3,4-Dihydroxyphenyl)-1,2-dihydro-6,7-dihydroxynaphthalene-2β,3-dicarboxylic acid bis[(R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl] ester
  • (1S,2R)-Rabdosiin
  • (1S,2R)-ラブドシイン
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