Chem
J-GLOBAL ID:200907097928690869   Nikkaji number:J1.105.103K

3β-Hydroxy-28-oxolup-20(29)-en-28-yl β-D-glucopyranoside

3β-ヒドロキシ-28-オキソルパ-20(29)-エン-28-イルβ-D-グルコピラノシド
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/c1-19(2)20-10-15-36(31(42)44-30-29(41)28(40)27(39)22(18-37)43-30)17-16-34(6)21(26(20)36)8-9-24-33(5)13-12-25(38)32(3,4)23(33)11-14-35(24,34)7/h20-30,37-41H,1,8-18H2,2-7H3/t20-,21+,22+,23-,24+,25-,26+,27+,28-,29+,30-,33-,34+,35+,36-/m0/s1
InChI key: GPYJMOFNKRFSHT-XGUXKNSRSA-N
SMILES: CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3):
  • 3β-ヒドロキシ-28-オキソルパ-20(29)-エン-28-イルβ-D-グルコピラノシド
  • (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,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-ヒドロキシ-5a,5b,8,8,11a-ペンタメチル-1-(プロパ-1-エン-2-イル)-イコサヒドロ-1H-シクロペンタ[a]クリセン-3a-カルボキシラート
  • (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylate
Other name (1):
  • 3β-Hydroxy-28-oxolup-20(29)-en-28-yl β-D-glucopyranoside
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