Chem
J-GLOBAL ID：200907073029520825   Nikkaji number：J795.863C

(4S,6S,7S,8R,9R,10S,15S,17R,18R,19S,20S,21R)-7,8,9,18,19,20-Hexahydroxy-4,15-dimethyl-6,10:17,21-diepoxy-1,5,12,16-tetraoxadocosane-2,13-dione

(4S,6S,7S,8R,9R,10S,15S,17R,18R,19S,20S,21R)-7,8,9,18,19,20-ヘキサヒドロキシ-4,15-ジメチル-6,10:17,21-ジエポキシ-1,5,12,16-テトラオキサドコサン-2,13-ジオン
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： C20H34O14
Molecular formula furigana： C20-H34-O14
Molecular weight： 498.478
InChI： InChI=1S/C20H34O14/c1-7(4-11(21)22)31-20-18(29)16(27)14(25)10(34-20)6-30-12(23)5-8(2)32-19-17(28)15(26)13(24)9(3)33-19/h7-10,13-20,24-29H,4-6H2,1-3H3,(H,21,22)/t7-,8-,9+,10-,13+,14-,15-,16+,17+,18-,19+,20-/m0/s1
InChI key： DUSDHCCSWIIUHV-CMRUFDDGSA-N
SMILES： C[C@@H](CC(=O)O)O[C@H]1O[C@@H](COC(=O)C[C@H](C)O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • (4S,6S,7S,8R,9R,10S,15S,17R,18R,19S,20S,21R)-7,8,9,18,19,20-ヘキサヒドロキシ-4,15-ジメチル-6,10:17,21-ジエポキシ-1,5,12,16-テトラオキサドコサン-2,13-ジオン
  • (3S)-3-{[(2S,3S,4R,5R,6S)-3,4,5-トリヒドロキシ-6-({[(3S)-3-{[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}ブタノイル]オキシ}メチル)オキサン-2-イル]オキシ}ブタン酸
  • (3S)-3-{[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-({[(3S)-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}butanoyl]oxy}methyl)oxan-2-yl]oxy}butanoic acid
Other name (1)：
  • (4S,6S,7S,8R,9R,10S,15S,17R,18R,19S,20S,21R)-7,8,9,18,19,20-Hexahydroxy-4,15-dimethyl-6,10:17,21-diepoxy-1,5,12,16-tetraoxadocosane-2,13-dione
Thsaurus map：
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