Chem
J-GLOBAL ID：201107070286818915   Nikkaji number：J2.968.996B

Perennisoside IX

ペレンニソシドIX
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： C58H92O25
Molecular formula furigana： C58-H92-O25
Molecular weight： 1189.349
InChI： InChI=1S/C58H92O25/c1-24-35(63)39(67)42(70)48(76-24)81-46-45(80-50-44(72)41(69)37(65)31(21-59)78-50)38(66)32(22-74-26(3)60)79-51(46)83-52(73)58-17-15-53(5,6)19-29(58)28-11-12-34-54(7)20-30(62)47(82-49-43(71)40(68)36(64)25(2)77-49)55(8,23-75-27(4)61)33(54)13-14-57(34,10)56(28,9)16-18-58/h11,24-25,29-51,59,62-72H,12-23H2,1-10H3/t24-,25+,29-,30-,31+,32+,33+,34+,35-,36-,37-,38+,39+,40-,41-,42+,43+,44+,45-,46+,47-,48-,49-,50-,51-,54-,55-,56+,57+,58-/m0/s1
InChI key： FLQHQXRQDBJPDR-UIXNYWABSA-N
SMILES： C[C@@H]1O[C@@H](O[C@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O)[C@@](C)(COC(=O)C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)O[C@H](COC(=O)C)[C@@H](O)[C@@H]2O[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)：
  • 2β-ヒドロキシ-3β-(β-D-フコピラノシルオキシ)-23-アセトキシオレアナ-12-エン-28-酸2-O-α-L-ラムノピラノシル-3-O-β-D-ガラクトピラノシル-6-O-アセチル-β-D-グルコピラノシル
  • (2S,3R,4S,5R,6R)-6-[(アセチルオキシ)メチル]-5-ヒドロキシ-4-{[(2S,3R,4S,5R,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 (4aS,6aS,6bR,8aR,9R,10R,11S,12aR,12bR,14bS)-9-[(アセチルオキシ)メチル]-11-ヒドロキシ-2,2,6a,6b,9,12a-ヘキサメチル-10-{[(2S,3R,4S,5R,6R)-3,4,5-トリヒドロキシ-6-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,5R,6R)-6-[(acetyloxy)methyl]-5-hydroxy-4-{[(2S,3R,4S,5R,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 (4aS,6aS,6bR,8aR,9R,10R,11S,12aR,12bR,14bS)-9-[(acetyloxy)methyl]-11-hydroxy-2,2,6a,6b,9,12a-hexamethyl-10-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-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)：
  • 2β-Hydroxy-3β-(β-D-fucopyranosyloxy)-23-acetoxyoleana-12-ene-28-oic acid 2-O-α-L-rhamnopyranosyl-3-O-β-D-galactopyranosyl-6-O-acetyl-β-D-glucopyranosyl ester
  • ペレンニソシドIX
  • Perennisoside IX
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