Chem
J-GLOBAL ID：200907037863598398   Nikkaji number：J625.105F

Rhamnolipid B

ラムノ脂質B
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： C42H74O14
Molecular formula furigana： C42-H74-O14
Molecular weight： 803.040
InChI： InChI=1S/C42H74O14/c1-6-9-12-15-16-19-22-25-33(45)55-39-37(49)35(47)29(5)52-42(39)56-40-38(50)36(48)28(4)51-41(40)54-31(24-21-18-14-11-8-3)27-34(46)53-30(26-32(43)44)23-20-17-13-10-7-2/h22,25,28-31,35-42,47-50H,6-21,23-24,26-27H2,1-5H3,(H,43,44)/t28-,29-,30?,31?,35-,36-,37+,38+,39+,40+,41-,42-/m0/s1
InChI key： PTDAXISVTVRQGK-YDTZKRRBSA-N
SMILES： CCCCCCCC=CC(=O)O[C@H]1[C@H](O[C@H]2[C@H](OC(CCCCCCC)CC(=O)OC(CCCCCCC)CC(=O)O)O[C@@H](C)[C@H](O)[C@H]2O)O[C@@H](C)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 3-[[2-O-[6-デオキシ-2-O-(1-オキソ-2-デセニル)-α-L-マンノピラノシル]-6-デオキシ-α-L-マンノピラノシル]オキシ]デカン酸1-(カルボキシメチル)オクチル
  • 3-[(3-{[(2R,3R,4R,5R,6S)-3-{[(2S,3R,4R,5R,6S)-3-(デカ-2-エノイルオキシ)-4,5-ジヒドロキシ-6-メチルオキサン-2-イル]オキシ}-4,5-ジヒドロキシ-6-メチルオキサン-2-イル]オキシ}デカノイル)オキシ]デカン酸
  • 3-[(3-{[(2R,3R,4R,5R,6S)-3-{[(2S,3R,4R,5R,6S)-3-(dec-2-enoyloxy)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxy-6-methyloxan-2-yl]oxy}decanoyl)oxy]decanoic acid
Other name (3)：
  • ラムノ脂質B
  • Rhamnolipid B
  • 3-[[2-O-[6-Deoxy-2-O-(1-oxo-2-decenyl)-α-L-mannopyranosyl]-6-deoxy-α-L-mannopyranosyl]oxy]decanoic acid 1-(carboxymethyl)octyl ester
CAS registry number： 61601-55-6
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