Chem
J-GLOBAL ID：200907097420540632   Nikkaji number：J652.153C

Saponin CP4

サポニンCP4
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： C46H74O15
Molecular formula furigana： C46-H74-O15
Molecular weight： 867.083
InChI： InChI=1S/C46H74O15/c1-22-30(49)35(60-37-33(52)31(50)25(47)20-56-37)34(53)38(58-22)61-36-32(51)26(48)21-57-39(36)59-29-12-13-43(6)27(42(29,4)5)11-14-45(8)28(43)10-9-23-24-19-41(2,3)15-17-46(24,40(54)55)18-16-44(23,45)7/h9,22,24-39,47-53H,10-21H2,1-8H3,(H,54,55)/t22-,24-,25+,26-,27-,28+,29-,30-,31+,32-,33+,34+,35+,36+,37-,38-,39-,43-,44+,45+,46-/m0/s1
InChI key： QDYPTQWAAOGCJD-DHNGTCSPSA-N
SMILES： C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@@]5(CC[C@@]43C)C(=O)O)C2(C)C)[C@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)[C@H]1O
Systematic name  (4)：
  • 3β-[[2-O-(3-O-β-D-リボピラノシル-6-デオキシ-α-L-マンノピラノシル)-α-L-アラビノピラノシル]オキシ]オレアナ-12-エン-28-酸
  • 3β-[2-O-(3-O-β-D-リボピラノシル-α-L-ラムノピラノシル)-α-L-アラビノピラノシルオキシ]オレアナ-12-エン-28-酸
  • (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[(2S,3R,4S,5S)-3-{[(2S,3R,4R,5S,6S)-3,5-ジヒドロキシ-6-メチル-4-{[(2S,3R,4R,5R)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}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}-2,2,6a,6b,9,9,12a-ヘプタメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-イコサヒドロピセン-4a-カルボン酸
  • (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[(2S,3R,4S,5S)-3-{[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-{[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
Other name (4)：
  • サポニンCP4
  • Saponin CP4
  • 3β-[[2-O-(3-O-β-D-Ribopyranosyl-6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy]olean-12-en-28-oic acid
  • 3β-[2-O-(3-O-β-D-Ribopyranosyl-α-L-rhamnopyranosyl)-α-L-arabinopyranosyloxy]oleana-12-ene-28-oic acid
CAS registry number： 75799-18-7
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