Chem
J-GLOBAL ID:200907018628236093   Nikkaji number:J2.315.839F

Cleistrioside 5

クレイストリオシド5
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: C36H62O16
Molecular formula furigana: C36-H62-O16
Molecular weight: 750.876
InChI: InChI=1S/C36H62O16/c1-8-9-10-11-12-13-14-15-16-17-18-44-34-26(41)25(40)29(19(2)45-34)51-35-28(43)32(31(21(4)46-35)49-23(6)38)52-36-33(50-24(7)39)27(42)30(20(3)47-36)48-22(5)37/h19-21,25-36,40-43H,8-18H2,1-7H3/t19-,20-,21-,25-,26+,27+,28+,29-,30-,31-,32-,33+,34+,35-,36-/m0/s1
InChI key: DFGWXZRIFMDDNA-DAZFWBFJSA-N
SMILES: CCCCCCCCCCCCO[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](OC(=O)C)[C@@H](O[C@@H]3O[C@@H](C)[C@H](OC(=O)C)[C@@H](O)[C@H]3OC(=O)C)[C@H]2O)[C@@H](O)[C@H]1O
Systematic name  (3):
  • ドデシル4-O-[4-O-アセチル-3-O-(2-O,4-O-ジアセチル-α-L-ラムノピラノシル)-α-L-ラムノピラノシル]-α-L-ラムノピラノシド
  • (2S,3S,4S,5R,6S)-4-{[(2S,3R,4R,5R,6S)-3,5-ビス(アセチルオキシ)-4-ヒドロキシ-6-メチルオキサン-2-イル]オキシ}-6-{[(2S,3R,4S,5R,6R)-6-(ドデシルオキシ)-4,5-ジヒドロキシ-2-メチルオキサン-3-イル]オキシ}-5-ヒドロキシ-2-メチルオキサン-3-イル アセタート
  • (2S,3S,4S,5R,6S)-4-{[(2S,3R,4R,5R,6S)-3,5-bis(acetyloxy)-4-hydroxy-6-methyloxan-2-yl]oxy}-6-{[(2S,3R,4S,5R,6R)-6-(dodecyloxy)-4,5-dihydroxy-2-methyloxan-3-yl]oxy}-5-hydroxy-2-methyloxan-3-yl acetate
Other name (3):
  • Dodecyl 4-O-[4-O-acetyl-3-O-(2-O,4-O-diacetyl-α-L-rhamnopyranosyl)-α-L-rhamnopyranosyl]-α-L-rhamnopyranoside
  • Cleistrioside 5
  • クレイストリオシド5
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