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HIT219586646
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HIT219586646
  • HIT ID:HIT219586646
  • Cas No:2616-79-7
  • 常用名:Methyl (3α,5α)-3-(acetyloxy)-6-oxocholan-24-oate
    常用名:Methyl (3α,5α)-3-(acetyloxy)-6-oxocholan-24-oate
  • 别名:Methyl (3α,5α)-3-(acetyloxy)-6-oxocholan-24-oate, 5α-Cholanic acid-3α-ol-6-one 3-acetate methyl ester
    别名:Methyl (3α,5α)-3-(acetyloxy)-6-oxocholan-24-oate, 5α-Cholanic acid-3α-ol-6-one 3-acetate methyl ester
  • IUPAC:methyl (4R)-4-[(1R,3aS,3bS,5aS,7R,9aR,9bS,11aR)-7-(acetyloxy)-9a,11a-dimethyl-5-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoate
    IUPAC:methyl (4R)-4-[(1R,3aS,3bS,5aS,7R,9aR,9bS,11aR)-7-(acetyloxy)-9a,11a-dimethyl-5-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoate
  • InChI key:KCGQCQPWFSUPDS-SFESAZTESA-N
  • 分子式:C27H42O5
  • 分子量:446.628
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[H][C@@]12CC[C@H]([C@H](C)CCC(=O)OC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=O)[C@@]2([H])C[C@@H](CC[C@]12C)OC(C)=O
    SMILES:[H][C@@]12CC[C@H]([C@H](C)CCC(=O)OC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=O)[C@@]2([H])C[C@@H](CC[C@]12C)OC(C)=O
  • Methyl (3α,5α)-3-(acetyloxy)-6-oxocholan-24-oate是一种高纯度生化试剂,适合作为生物材料或有机合成中间体,广泛应用于生命科学领域的研究与实验。
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    TargetMolSC
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    1

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