Chem
J-GLOBAL ID：200907088537234061   Nikkaji number：J346.392C

Mi-saponin I

ミ-グリコシドI
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： C36H58O11
Molecular formula furigana： C36-H58-O11
Molecular weight： 666.849
InChI： InChI=1S/C36H58O11/c1-31(2)9-11-36(30(44)45)12-10-34(5)18(19(36)13-31)7-8-23-32(3)14-21(40)28(33(4,17-38)27(32)20(39)15-35(23,34)6)47-29-26(43)25(42)24(41)22(16-37)46-29/h7,19-29,37-43H,8-17H2,1-6H3,(H,44,45)/t19-,20+,21-,22+,23+,24+,25-,26+,27+,28-,29-,32+,33-,34+,35+,36-/m0/s1
InChI key： RXWXPKXKJZHTEJ-WBWKNCLJSA-N
SMILES： CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2C1)C(=O)O
Systematic name  (4)：
  • 3β-(β-D-グルコピラノシルオキシ)-2β,6β,23-トリヒドロキシ-5α-オレアナ-12-エン-28-酸
  • 3β-(β-D-グルコピラノシルオキシ)-2β,6β,23-トリヒドロキシオレアナ-12-エン-28-酸
  • (4aS,6aS,6bR,8R,8aR,9R,10R,11S,12aR,12bR,14bS)-8,11-ジヒドロキシ-9-(ヒドロキシメチル)-2,2,6a,6b,9,12a-ヘキサメチル-10-{[(2R,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}-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,8R,8aR,9R,10R,11S,12aR,12bR,14bS)-8,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-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 (9)：
  • Mi-サポニンI
  • Mi-saponin I
  • 3β-(β-D-Glucopyranosyloxy)-2β,6β,23-trihydroxy-5α-olean-12-en-28-oic acid
  • 3β-(β-D-Glucopyranosyloxy)-2β,6β,23-trihydroxyoleana-12-ene-28-oic acid
  • 3-O-β-D-グルコピラノシルプロトバッシン酸
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