Chem
J-GLOBAL ID:200907041853727120   Nikkaji number:J1.613.976I

3β-(α-L-Arabinopyranosyloxy)urs-12,19(29)-diene-28-oic acid β-D-glucopyranosyl ester

3β-(α-L-アラビノピラノシルオキシ)ウルサ-12,19(29)-ジエン-28-酸β-D-グルコピラノシル
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: C41H64O12
Molecular formula furigana: C41-H64-O12
Molecular weight: 748.951
InChI: InChI=1S/C41H64O12/c1-20-10-15-41(36(49)53-35-33(48)31(46)30(45)24(18-42)51-35)17-16-39(6)22(28(41)21(20)2)8-9-26-38(5)13-12-27(37(3,4)25(38)11-14-40(26,39)7)52-34-32(47)29(44)23(43)19-50-34/h8,20,23-35,42-48H,2,9-19H2,1,3-7H3/t20-,23+,24-,25+,26-,27+,28+,29+,30-,31+,32-,33-,34+,35+,38+,39-,40-,41+/m1/s1
InChI key: TXWFEKCXGJREKU-LWQGPOSASA-N
SMILES: C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1=C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (4):
  • 3β-(α-L-アラビノピラノシルオキシ)ウルサ-12,19(29)-ジエン-28-酸28-β-D-グルコピラノシル
  • 3β-(α-L-アラビノピラノシルオキシ)ウルサ-12,19(29)-ジエン-28-酸β-D-グルコピラノシル
  • (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 (2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-2,6a,6b,9,9,12a-ヘキサメチル-1-メチリデン-10-{[(2S,3R,4S,5S)-3,4,5-トリヒドロキシオキサン-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,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-2,6a,6b,9,9,12a-hexamethyl-1-methylidene-10-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-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 (2):
  • 3β-(α-L-Arabinopyranosyloxy)urs-12,19(29)-diene-28-oic acid 28-β-D-glucopyranosyl ester
  • 3β-(α-L-Arabinopyranosyloxy)urs-12,19(29)-diene-28-oic acid β-D-glucopyranosyl ester
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