Chem
J-GLOBAL ID：200907034958464004   Nikkaji number：J1.012.727K

Trilobatin B

トリロバチンB
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： C26H28O13
Molecular formula furigana： C26-H28-O13
Molecular weight： 548.497
InChI： InChI=1S/C26H28O13/c27-8-12(28)6-19-23(33)24(34)20(39-19)9-38-26(37)14-3-11-5-17(31)18(32)7-13(11)21(22(14)25(35)36)10-1-2-15(29)16(30)4-10/h1-5,7,12,19-24,27-34H,6,8-9H2,(H,35,36)/t12?,19-,20-,21-,22-,23+,24+/m1/s1
InChI key： SPXXGPHPASGHLM-DHYIGXGMSA-N
SMILES： OCC(O)C[C@H]1O[C@H](COC(=O)C2=Cc3cc(O)c(O)cc3[C@H]([C@@H]2C(=O)O)c2ccc(O)c(O)c2)[C@H](O)[C@H]1O
Systematic name  (3)：
  • (1R)-1β-(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-2α,3-ジカルボン酸3-[[(2R)-3α,4β-ジヒドロキシ-5β-(2,3-ジヒドロキシプロピル)テトラヒドロフラン]-2α-イル]メチル
  • (1R,2S)-1-(3,4-ジヒドロキシフェニル)-3-({[(2R,3R,4R,5R)-5-(2,3-ジヒドロキシプロピル)-3,4-ジヒドロキシオキソラン-2-イル]メトキシ}カルボニル)-6,7-ジヒドロキシ-1,2-ジヒドロナフタレン-2-カルボン酸
  • (1R,2S)-1-(3,4-dihydroxyphenyl)-3-({[(2R,3R,4R,5R)-5-(2,3-dihydroxypropyl)-3,4-dihydroxyoxolan-2-yl]methoxy}carbonyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2-carboxylic acid
Other name (3)：
  • (1R)-1β-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2α,3-dicarboxylic acid 3-[[(2R)-3α,4β-dihydroxy-5β-(2,3-dihydroxypropyl)tetrahydrofuran]-2α-yl]methyl ester
  • トリロバチンB
  • Trilobatin B
Application (1)：
anti-inflammatoryaction
Thsaurus map：
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