Chem
J-GLOBAL ID：200907093736282362   Nikkaji number：J768.852K

Merremoside i

メレモシドi
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： C40H72O19
Molecular formula furigana： C40-H72-O19
Molecular weight： 856.997
InChI： InChI=1S/C40H72O19/c1-6-7-13-16-23(17-14-11-9-8-10-12-15-18-24(41)42)56-37-31(49)27(45)34(20(3)53-37)58-39-33(51)29(47)36(22(5)55-39)59-40-32(50)28(46)35(21(4)54-40)57-38-30(48)26(44)25(43)19(2)52-38/h19-23,25-40,43-51H,6-18H2,1-5H3,(H,41,42)/t19-,20-,21-,22-,23-,25-,26+,27-,28-,29-,30+,31+,32+,33+,34-,35-,36-,37-,38-,39-,40-/m0/s1
InChI key： CPMNEEZJRJQMFA-RVJNHWRLSA-N
SMILES： CCCCC[C@@H](CCCCCCCCCC(=O)O)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
  • (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}ヘキサデカン酸
  • (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}hexadecanoic acid
Other name (3)：
  • メレモシドi
  • Merremoside i
  • (S)-11-[4-O-[4-O-(4-O-α-L-Rhamnopyranosyl-α-L-rhamnopyranosyl)-α-L-rhamnopyranosyl]-α-L-rhamnopyranosyloxy]palmitic acid
CAS registry number： 115681-37-3
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