Chem
J-GLOBAL ID：200907054360314220   Nikkaji number：J541.164E

Crenulatin

クレヌラチン
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： C30H38O16
Molecular formula furigana： C30-H38-O16
Molecular weight： 654.618
InChI： InChI=1S/C30H38O16/c1-6-29(2,3)46-27(41)14-9-17(33)22(36)20(34)13(14)10-19(30(4,5)42)45-28-25(39)24(38)23(37)18(44-28)11-43-26(40)12-7-15(31)21(35)16(32)8-12/h6-9,18-19,23-25,28,31-39,42H,1,10-11H2,2-5H3/t18-,19?,23-,24+,25-,28+/m1/s1
InChI key： XHQSVRSYFLBIHS-PXCINVQVSA-N
SMILES： CC(C)(O)C(Cc1c(O)c(O)c(O)cc1C(=O)OC(C)(C)C=C)O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 1-(1-メチル-1-ヒドロキシエチル)-2-[2,3,4-トリヒドロキシ-6-[[(1,1-ジメチル-2-プロペニル)オキシ]カルボニル]フェニル]エチル6-O-ガロイル-β-D-グルコピラノシド
  • 2-メチルブタ-3-エン-2-イル 3,4,5-トリヒドロキシ-2-(3-ヒドロキシ-3-メチル-2-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-[(3,4,5-トリヒドロキシベンゾイルオキシ)メチル]オキサン-2-イル]オキシ}ブチル)ベンゾアート
  • 2-methylbut-3-en-2-yl 3,4,5-trihydroxy-2-(3-hydroxy-3-methyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl]oxy}butyl)benzoate
Other name (3)：
  • クレヌラチン
  • Crenulatin
  • 1-(1-Methyl-1-hydroxyethyl)-2-[2,3,4-trihydroxy-6-[[(1,1-dimethyl-2-propenyl)oxy]carbonyl]phenyl]ethyl 6-O-galloyl-β-D-glucopyranoside
CAS registry number： 142937-29-9
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM