Chem
J-GLOBAL ID：200907046252367080   Nikkaji number：J1.481.677A

Soldanellic acid B

ソルダネリン酸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： C40H72O21
Molecular formula furigana： C40-H72-O21
Molecular weight： 888.995
InChI： InChI=1S/C40H72O21/c1-4-5-11-14-21(15-12-9-7-6-8-10-13-16-24(43)44)56-39-35(31(51)26(46)20(3)55-39)60-40-36(61-37-32(52)29(49)25(45)19(2)54-37)34(28(48)23(18-42)58-40)59-38-33(53)30(50)27(47)22(17-41)57-38/h19-23,25-42,45-53H,4-18H2,1-3H3,(H,43,44)/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： RYEDRDCIRUXABX-RXAYEXGGSA-N
SMILES： CCCCC[C@@H](CCCCCCCCCC(=O)O)O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
Systematic name  (3)：
  • (11S)-11-[2-O-[2-O-(α-L-ラムノピラノシル)-3-O-(β-D-グルコピラノシル)-β-D-グルコピラノシル]-6-デオキシ-β-D-グルコピラノシルオキシ]ヘキサデカン酸
  • (11S)-11-{[(2R,3R,4S,5S,6R)-4,5-ジヒドロキシ-3-{[(2S,3R,4S,5R,6R)-5-ヒドロキシ-6-(ヒドロキシメチル)-4-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-3-{[(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}-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,5S,6R)-4,5-dihydroxy-3-{[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}hexadecanoic acid
Other name (3)：
  • (11S)-11-[2-O-[2-O-(α-L-Rhamnopyranosyl)-3-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]-6-deoxy-β-D-glucopyranosyloxy]hexadecanoic acid
  • Soldanellic acid B
  • ソルダネリン酸B
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