Chem
J-GLOBAL ID:200907001079872012   Nikkaji number:J1.057.390D

28-(2-Deoxy-α-D-arabino-hexopyranosyloxy)lup-20(29)-en-3β-ol

28-(2-デオキシ-α-D-arabino-ヘキソピラノシルオキシ)ルパ-20(29)-エン-3β-オール
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: C36H60O6
Molecular formula furigana: C36-H60-O6
Molecular weight: 588.870
InChI: InChI=1S/C36H60O6/c1-21(2)22-10-15-36(20-41-29-18-24(38)31(40)25(19-37)42-29)17-16-34(6)23(30(22)36)8-9-27-33(5)13-12-28(39)32(3,4)26(33)11-14-35(27,34)7/h22-31,37-40H,1,8-20H2,2-7H3/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31-,33-,34+,35+,36+/m0/s1
InChI key: CMGYFJUIIABBIM-RDZWVWMLSA-N
SMILES: CC(=C)[C@@H]1CC[C@]2(CO[C@@H]3C[C@@H](O)[C@H](O)[C@@H](CO)O3)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
Systematic name  (3):
  • 28-(2-デオキシ-α-D-arabino-ヘキソピラノシルオキシ)ルパ-20(29)-エン-3β-オール
  • (2R,3S,4R,6S)-6-{[(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-イル]メトキシ}-2-(ヒドロキシメチル)オキサン-3,4-ジオール
  • (2R,3S,4R,6S)-6-{[(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]chrysen-3a-yl]methoxy}-2-(hydroxymethyl)oxane-3,4-diol
Other name (1):
  • 28-(2-Deoxy-α-D-arabino-hexopyranosyloxy)lup-20(29)-en-3β-ol
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