Chem
J-GLOBAL ID：200907002428029529   Nikkaji number：J1.463.709E

Mi-saponin C

Mi-サポニンC
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： C64H104O32
Molecular formula furigana： C64-H104-O32
Molecular weight： 1385.504
InChI： InChI=1S/C64H104O32/c1-23-34(71)38(75)42(79)53(87-23)93-48-32(91-55-43(80)39(76)36(73)30(18-65)89-55)21-86-52(46(48)83)92-47-24(2)88-54(45(82)41(47)78)94-49-35(72)29(70)20-85-57(49)96-58(84)64-13-11-59(3,4)15-26(64)25-9-10-33-60(5)16-28(69)51(95-56-44(81)40(77)37(74)31(19-66)90-56)61(6,22-67)50(60)27(68)17-63(33,8)62(25,7)12-14-64/h9,23-24,26-57,65-83H,10-22H2,1-8H3/t23-,24-,26-,27+,28-,29-,30+,31+,32+,33+,34-,35-,36+,37+,38+,39-,40-,41-,42+,43+,44+,45+,46+,47-,48-,49+,50+,51-,52-,53-,54-,55-,56-,57-,60+,61-,62+,63+,64-/m0/s1
InChI key： MVARPWMMYRSKND-RGPLTPEESA-N
SMILES： C[C@@H]1O[C@@H](O[C@H]2[C@@H](CO[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4[C@@H](O)[C@@H](O)CO[C@H]4OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)C[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@](C)(CO)[C@@H]7[C@H](O)C[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H]3O)[C@@H]2O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 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2-O-[4-O-(3-O-α-L-ラムノピラノシル-4-O-β-D-グルコピラノシル-β-D-キシロピラノシル)-α-L-ラムノピラノシル]-α-L-アラビノピラノシル
  • (2S,3R,4S,5S)-3-{[(2S,3R,4S,5R,6S)-3,4-ジヒドロキシ-5-{[(2S,3R,4R,5R)-3-ヒドロキシ-5-{[(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}-4-{[(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}-4,5-ジヒドロキシオキサン-2-イル (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-カルボキシラート
  • (2S,3R,4S,5S)-3-{[(2S,3R,4S,5R,6S)-3,4-dihydroxy-5-{[(2S,3R,4R,5R)-3-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl (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-carboxylate
Other name (3)：
  • 3β-(β-D-Glucopyranosyloxy)-2β,6β,23-trihydroxyoleana-12-ene-28-oic acid 2-O-[4-O-(3-O-α-L-rhamnopyranosyl-4-O-β-D-glucopyranosyl-β-D-xylopyranosyl)-α-L-rhamnopyranosyl]-α-L-arabinopyranosyl ester
  • Mi-サポニンC
  • Mi-saponin C
CAS registry number： 54327-11-6
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