Chem
J-GLOBAL ID：200907091324860091   Nikkaji number：J767.193H

Merremoside i methyl ester

メレモシドiメチル
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： C41H74O19
Molecular formula furigana： C41-H74-O19
Molecular weight： 871.024
InChI： InChI=1S/C41H74O19/c1-7-8-14-17-24(18-15-12-10-9-11-13-16-19-25(42)52-6)57-38-32(49)28(45)35(21(3)54-38)59-40-34(51)30(47)37(23(5)56-40)60-41-33(50)29(46)36(22(4)55-41)58-39-31(48)27(44)26(43)20(2)53-39/h20-24,26-41,43-51H,7-19H2,1-6H3/t20-,21-,22-,23-,24-,26-,27+,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38-,39-,40-,41-/m0/s1
InChI key： DHHIGLWPWIUZHK-YAAFNGGMSA-N
SMILES： CCCCC[C@@H](CCCCCCCCCC(=O)OC)O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](O[C@@H]3O[C@@H](C)[C@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O
Systematic name  (3)：
  • (S)-11-[4-O-[4-O-(4-O-α-L-ラムノピラノシル-α-L-ラムノピラノシル)-α-L-ラムノピラノシル]-α-L-ラムノピラノシルオキシ]パルミチン酸メチル
  • メチル (11S)-11-{[(2R,3R,4S,5R,6S)-5-{[(2S,3R,4S,5R,6S)-5-{[(2S,3R,4S,5R,6S)-3,4-ジヒドロキシ-6-メチル-5-{[(2S,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-3,4-ジヒドロキシ-6-メチルオキサン-2-イル]オキシ}-3,4-ジヒドロキシ-6-メチルオキサン-2-イル]オキシ}ヘキサデカノアート
  • methyl (11S)-11-{[(2R,3R,4S,5R,6S)-5-{[(2S,3R,4S,5R,6S)-5-{[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl]oxy}hexadecanoate
Other name (3)：
  • メレモシドiメチル
  • Merremoside i methyl ester
  • (S)-11-[4-O-[4-O-(4-O-α-L-Rhamnopyranosyl-α-L-rhamnopyranosyl)-α-L-rhamnopyranosyl]-α-L-rhamnopyranosyloxy]palmitic acid methyl ester
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