Chem
J-GLOBAL ID：200907037104458824   Nikkaji number：J447.904A

Sophorolipid II

ソホロリピッドII
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： C36H64O15
Molecular formula furigana： C36-H64-O15
Molecular weight： 736.893
InChI： InChI=1S/C36H64O15/c1-4-5-6-12-15-18-25(19-16-13-10-8-7-9-11-14-17-20-28(39)40)48-36-34(32(44)30(42)27(50-36)22-47-24(3)38)51-35-33(45)31(43)29(41)26(49-35)21-46-23(2)37/h25-27,29-36,41-45H,4-22H2,1-3H3,(H,39,40)/t25?,26-,27-,29-,30-,31+,32+,33-,34-,35+,36-/m1/s1
InChI key： VRCBMLFWCILQGY-BNKHDULBSA-N
SMILES： CCCCCCCC(CCCCCCCCCCCC(=O)O)O[C@@H]1O[C@H](COC(=O)C)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](COC(=O)C)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 13-[6-O-アセチル-2-O-(6-O-アセチル-β-D-グルコピラノシル)-β-D-グルコピラノシルオキシ]イコサン酸
  • 13-{[(2R,3R,4S,5S,6R)-6-[(アセチルオキシ)メチル]-3-{[(2S,3R,4S,5S,6R)-6-[(アセチルオキシ)メチル]-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}-4,5-ジヒドロキシオキサン-2-イル]オキシ}イコサン酸
  • 13-{[(2R,3R,4S,5S,6R)-6-[(acetyloxy)methyl]-3-{[(2S,3R,4S,5S,6R)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]oxy}icosanoic acid
Other name (3)：
  • ソホロリピッドII
  • Sophorolipid II
  • 13-[6-O-Acetyl-2-O-(6-O-acetyl-β-D-glucopyranosyl)-β-D-glucopyranosyloxy]icosanoic acid
Thsaurus map：
Thesaurus Map

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