Chem
J-GLOBAL ID：200907037900979356   Nikkaji number：J808.597H

Boussingoside E

ブッシンゴシドE
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： C41H62O15
Molecular formula furigana： C41-H62-O15
Molecular weight： 794.932
InChI： InChI=1S/C41H62O15/c1-19-8-13-41(36(52)56-34-30(48)27(45)26(44)22(17-42)53-34)15-14-39(4)20(21(41)16-19)6-7-24-37(2)11-10-25(38(3,18-43)23(37)9-12-40(24,39)5)54-35-31(49)28(46)29(47)32(55-35)33(50)51/h6,21-32,34-35,42-49H,1,7-18H2,2-5H3,(H,50,51)/t21-,22+,23+,24+,25-,26+,27-,28-,29-,30+,31+,32-,34-,35+,37-,38-,39+,40+,41-/m0/s1
InChI key： XZLYKCFSWUWOSX-GUZNCPQZSA-N
SMILES： C[C@@]1(CO)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3CC(=C)CC[C@@]3(CC[C@@]12C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O
Systematic name  (3)：
  • 3β-(β-D-グルクロノピラノシルオキシ)-23-ヒドロキシ-30-ノルオレアナ-12,20(29)-ジエン-28-酸28-β-D-グルコピラノシル
  • (2S,3S,4S,5R,6R)-6-{[(3S,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4-(ヒドロキシメチル)-4,6a,6b,14b-テトラメチル-11-メチリデン-8a-({[(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}カルボニル)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-イコサヒドロピセン-3-イル]オキシ}-3,4,5-トリヒドロキシオキサン-2-カルボン酸
  • (2S,3S,4S,5R,6R)-6-{[(3S,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,14b-tetramethyl-11-methylidene-8a-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Other name (3)：
  • ブッシンゴシドE
  • Boussingoside E
  • 3β-(β-D-Glucurono pyranosyloxy)-23-hydroxy-30-noroleana-12,20(29)-dien-28-oic acid 28-β-D-glucopyranosyl ester
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