Chem
J-GLOBAL ID：200907063580981315   Nikkaji number：J2.571.243I

Perennisaponin A

ペレンニサポニンA
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： C57H90O24
Molecular formula furigana： C57-H90-O24
Molecular weight： 1159.323
InChI： InChI=1S/C57H90O24/c1-23-35(64)36(65)37(66)48(73-23)79-43-31(62)21-72-47(40(43)69)78-42-25(3)74-49(44(39(42)68)77-27(5)60)80-45-38(67)41(76-26(4)59)24(2)75-50(45)81-51(71)57-17-16-52(6,7)18-29(57)28-12-13-33-53(8)19-30(61)46(70)54(9,22-58)32(53)14-15-55(33,10)56(28,11)20-34(57)63/h12,23-25,29-50,58,61-70H,13-22H2,1-11H3/t23-,24+,25-,29-,30-,31+,32+,33+,34+,35-,36+,37+,38-,39+,40+,41-,42-,43-,44+,45+,46-,47-,48-,49-,50-,53-,54-,55+,56+,57+/m0/s1
InChI key： ZGWXYVYXBBNDTH-PCONAVDESA-N
SMILES： C[C@@H]1O[C@@H](O[C@H]2[C@H](O)CO[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4[C@@H](O)[C@@H](OC(=O)C)[C@@H](C)O[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@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)C[C@H]5O)[C@H](OC(=O)C)[C@@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 2β,3β,16α,23-テトラヒドロキシオレアナ-12-エン-28-酸2-O-[2-O-アセチル-4-O-(3-O-α-L-ラムノピラノシル-β-D-キシロピラノシル)-α-L-ラムノピラノシル]-4-O-アセチル-β-D-フコピラノシル
  • (2S,3R,4S,5R,6R)-5-(アセチルオキシ)-3-{[(2S,3R,4R,5R,6S)-3-(アセチルオキシ)-5-{[(2S,3R,4S,5R)-3,5-ジヒドロキシ-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}-4-ヒドロキシ-6-メチルオキサン-2-イル]オキシ}-4-ヒドロキシ-6-メチルオキサン-2-イル (4aR,5R,6aS,6bR,8aR,9R,10R,11S,12aR,12bR,14bS)-5,10,11-トリヒドロキシ-9-(ヒドロキシメチル)-2,2,6a,6b,9,12a-ヘキサメチル-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,5R,6R)-5-(acetyloxy)-3-{[(2S,3R,4R,5R,6S)-3-(acetyloxy)-5-{[(2S,3R,4S,5R)-3,5-dihydroxy-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl (4aR,5R,6aS,6bR,8aR,9R,10R,11S,12aR,12bR,14bS)-5,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-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)：
  • 2β,3β,16α,23-Tetrahydroxyoleana-12-ene-28-oic acid 2-O-[2-O-acetyl-4-O-(3-O-α-L-rhamnopyranosyl-β-D-xylopyranosyl)-α-L-rhamnopyranosyl]-4-O-acetyl-β-D-fucopyranosyl ester
  • ペレンニサポニンA
  • Perennisaponin A
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