Chem
J-GLOBAL ID：200907020243173273   Nikkaji number：J1.613.981E

Pomolic acid β-D-glucopyranosylester

ポモル酸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： C36H58O9
Molecular formula furigana： C36-H58-O9
Molecular weight： 634.851
InChI： InChI=1S/C36H58O9/c1-19-10-15-36(30(42)45-29-27(41)26(40)25(39)21(18-37)44-29)17-16-33(5)20(28(36)35(19,7)43)8-9-23-32(4)13-12-24(38)31(2,3)22(32)11-14-34(23,33)6/h8,19,21-29,37-41,43H,9-18H2,1-7H3/t19-,21-,22+,23-,24+,25-,26+,27-,28-,29+,32+,33-,34-,35-,36+/m1/s1
InChI key： RRIMLWHUVCZACL-HPUCWRFUSA-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(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  (4)：
  • 3β,19α-ジヒドロキシウルサ-12-エン-28-酸28-β-D-グルコピラノシル
  • 3β,19-ジヒドロキシ-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)-1,10-ジヒドロキシ-1,2,6a,6b,9,9,12a-ヘプタメチル-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,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-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 (4)：
  • 3β,19α-Dihydroxyurs-12-ene-28-oic acid 28-β-D-glucopyranosyl ester
  • 3β,19-Dihydroxy-5α-urs-12-ene-28-oic acid β-D-glucopyranosyl ester
  • ポモル酸β-D-グルコピラノシル
  • Pomolic acid β-D-glucopyranosylester
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