Chem
J-GLOBAL ID:200907063420541670   Nikkaji number:J38.838F

Compound O

化合物O
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: C36H58O8
Molecular formula furigana: C36-H58-O8
Molecular weight: 618.852
InChI: InChI=1S/C36H58O8/c1-31(2)14-16-36(30(42)44-29-28(41)27(40)26(39)22(19-37)43-29)17-15-34(6)20(21(36)18-31)8-9-24-33(5)12-11-25(38)32(3,4)23(33)10-13-35(24,34)7/h8,21-29,37-41H,9-19H2,1-7H3/t21-,22+,23-,24+,25-,26+,27-,28+,29-,33-,34+,35+,36-/m0/s1
InChI key: KMKFOIBUKYMVRJ-YHFBEQRYSA-N
SMILES: CC1(C)CC[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]2C1)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (6):
  • 3β-ヒドロキシオレアナ-12-エン-28-酸(β-D-グルコピラノシル)
  • 3β-ヒドロキシオレアナ-12-エン-28-酸β-D-グルコピラノシル
  • 3β-ヒドロキシ-5α-オレアナ-12-エン-28-酸β-D-グルコピラノシル
  • 3β-ヒドロキシオレアナ-12-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 (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
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Other name (9):
  • オレアノール酸28-O-β-D-グルコピラノシド
  • Oleanolic acid 28-O-β-D-glucopyranoside
  • オレアノール酸28-O-D-グルコシド
  • Oleanolic acid 28-O-D-glucoside
  • 3β-Hydroxy-5α-olean-12-en-28-oic acid β-D-glucopyranosyl ester
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CAS registry number: 14162-53-9
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