Chem
J-GLOBAL ID：200907035273104818   Nikkaji number：J2.616.776K

3β-Hydroxyoleana-12-ene-28-oic acid 2-O,3-O,4-O,6-O-tetraacetyl-β-D-glucopyranosyl ester

3β-ヒドロキシオレアナ-12-エン-28-酸2-O,3-O,4-O,6-O-テトラアセチル-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： C44H66O12
Molecular formula furigana： C44-H66-O12
Molecular weight： 787.000
InChI： InChI=1S/C44H66O12/c1-24(45)51-23-30-34(52-25(2)46)35(53-26(3)47)36(54-27(4)48)37(55-30)56-38(50)44-20-18-39(5,6)22-29(44)28-12-13-32-41(9)16-15-33(49)40(7,8)31(41)14-17-43(32,11)42(28,10)19-21-44/h12,29-37,49H,13-23H2,1-11H3/t29-,30+,31-,32+,33-,34+,35-,36+,37-,41-,42+,43+,44-/m0/s1
InChI key： HBYTYUPDMVPCLO-KUWWTPISSA-N
SMILES： CC(=O)OC[C@H]1O[C@@H](OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C
Systematic name  (3)：
  • 3β-ヒドロキシオレアナ-12-エン-28-酸2-O,3-O,4-O,6-O-テトラアセチル-β-D-グルコピラノシル
  • (2S,3R,4S,5R,6R)-3,4,5-トリス(アセチルオキシ)-6-[(アセチルオキシ)メチル]オキサン-2-イル (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-ヒドロキシ-2,2,6a,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,5R,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-2,2,6a,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 (1)：
  • 3β-Hydroxyoleana-12-ene-28-oic acid 2-O,3-O,4-O,6-O-tetraacetyl-β-D-glucopyranosyl ester
Thsaurus map：
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