Chem
J-GLOBAL ID：201107046211440811   Nikkaji number：J2.969.001D

Desacylperennisoside XI

デスアシルペレンニソシドXI
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： C60H98O29
Molecular formula furigana： C60-H98-O29
Molecular weight： 1283.415
InChI： InChI=1S/C60H98O29/c1-23-33(67)38(72)41(75)49(80-23)87-47-46(86-51-43(77)40(74)35(69)28(19-62)82-51)37(71)30(21-64)84-53(47)89-54(79)60-14-12-55(2,3)16-25(60)24-8-9-32-56(4)17-26(66)48(57(5,22-65)31(56)10-11-59(32,7)58(24,6)13-15-60)88-52-44(78)45(36(70)29(20-63)83-52)85-50-42(76)39(73)34(68)27(18-61)81-50/h8,23,25-53,61-78H,9-22H2,1-7H3/t23-,25-,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-,56-,57-,58+,59+,60-/m0/s1
InChI key： OWHDGHUEXCWODQ-LMLFKQSSSA-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](CO)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)O[C@H](CO)[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,23-ジヒドロキシ-3β-(3-O-β-D-グルコピラノシル-β-D-グルコピラノシルオキシ)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-β-D-グルコピラノシル
  • (2S,3R,4S,5R,6R)-5-ヒドロキシ-6-(ヒドロキシメチル)-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)-10-{[(2R,3R,4S,5R,6R)-3,5-ジヒドロキシ-6-(ヒドロキシメチル)-4-{[(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}オキサン-2-イル]オキシ}-11-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-hydroxy-6-(hydroxymethyl)-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)-10-{[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-11-hydroxy-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,23-Dihydroxy-3β-(3-O-β-D-glucopyranosyl-β-D-glucopyranosyloxy)oleana-12-ene-28-oic acid 2-O-α-L-rhamnopyranosyl-3-O-β-D-galactopyranosyl-β-D-glucopyranosyl ester
  • デスアシルペレンニソシドXI
  • Desacylperennisoside XI
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