Chem
J-GLOBAL ID：200907017081234558   Nikkaji number：J1.613.977G

3β-(α-L-Arabinopyranosyloxy)-23-hydroxyurs-12,19(29)-diene-28-oic acid 28-β-D-glucopyranosyl ester

3β-(α-L-アラビノピラノシルオキシ)-23-ヒドロキシウルサ-12,19(29)-ジエン-28-酸28-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： C41H64O13
Molecular formula furigana： C41-H64-O13
Molecular weight： 764.950
InChI： InChI=1S/C41H64O13/c1-20-9-14-41(36(50)54-35-33(49)31(47)30(46)24(17-42)52-35)16-15-39(5)22(28(41)21(20)2)7-8-26-37(3)12-11-27(53-34-32(48)29(45)23(44)18-51-34)38(4,19-43)25(37)10-13-40(26,39)6/h7,20,23-35,42-49H,2,8-19H2,1,3-6H3/t20-,23+,24-,25-,26-,27+,28+,29+,30-,31+,32-,33-,34+,35+,37+,38+,39-,40-,41+/m1/s1
InChI key： LJCUOMZSVKPSBW-PAUAZMGASA-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)(CO)[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  (3)：
  • 3β-(α-L-アラビノピラノシルオキシ)-23-ヒドロキシウルサ-12,19(29)-ジエン-28-酸28-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,9R,10S,12aR,12bR,14bS)-9-(ヒドロキシメチル)-2,6a,6b,9,12a-ペンタメチル-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,9R,10S,12aR,12bR,14bS)-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-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 (1)：
  • 3β-(α-L-Arabinopyranosyloxy)-23-hydroxyurs-12,19(29)-diene-28-oic acid 28-β-D-glucopyranosyl ester
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