Chem
J-GLOBAL ID：200907080127140131   Nikkaji number：J502.971F

Kudinoside H

クジノシドH
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： C41H66O13
Molecular formula furigana： C41-H66-O13
Molecular weight： 766.966
InChI： InChI=1S/C41H66O13/c1-20-10-15-41(35(49)54-34-31(48)29(46)28(45)23(18-42)52-34)17-16-38(5)21(32(41)40(20,7)50)8-9-25-37(4)13-12-26(36(2,3)24(37)11-14-39(25,38)6)53-33-30(47)27(44)22(43)19-51-33/h8,20,22-34,42-48,50H,9-19H2,1-7H3/t20-,22+,23-,24+,25-,26+,27+,28-,29+,30-,31-,32-,33+,34+,37+,38-,39-,40-,41+/m1/s1
InChI key： WCHBFWOEFOZHMK-MLHVESHNSA-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]2[C@]1(C)O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (5)：
  • 3β-[(α-L-アラビノピラノシル)オキシ]-19-ヒドロキシウルサ-12-エン-28-酸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)-19α-ヒドロキシウルサ-12-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)-19-ヒドロキシ-5α-ウルサ-12-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 (1R,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-1-ヒドロキシ-1,2,6a,6b,9,9,12a-ヘプタメチル-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 (1R,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-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 (7)：
  • 3β-[(α-L-Arabinopyranosyl)oxy]-19-hydroxyurs-12-en-28-oic acid β-D-glucopyranosyl ester
  • クジノシドH
  • Kudinoside H
  • 3β-(α-L-Arabinopyranosyloxy)-19α-hydroxyurs-12-ene-28-oic acid 28-β-D-glucopyranosyl ester
  • 3β-(α-L-Arabinopyranosyloxy)-19-hydroxy-5α-urs-12-ene-28-oic acid β-D-glucopyranosyl ester
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CAS registry number： 35286-58-9
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