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HIT218847239
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HIT218847239
  • HIT ID:HIT218847239
  • Cas No:117869-71-3
  • 常用名:2-O-β-D-Glucopyranosylcucurbitacin F 25-acetate
    常用名:2-O-β-D-Glucopyranosylcucurbitacin F 25-acetate
  • IUPAC:6-(2,7-dihydroxy-3a,6,6,9b,11a-pentamethyl-10-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate
    IUPAC:6-(2,7-dihydroxy-3a,6,6,9b,11a-pentamethyl-10-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate
  • InChI key:JXLGHGQDRCPDGI-UHFFFAOYSA-N
  • 分子式:C38H58O13
  • 分子量:722.869
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(OC5OC(CO)C(O)C(O)C5O)C(O)C4(C)C)C3(C)C(=O)CC12C
    SMILES:CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(OC5OC(CO)C(O)C(O)C5O)C(O)C4(C)C)C3(C)C(=O)CC12C
  • 2-O-β-D-Glucopyranosylcucurbitacin F 25-acetate 是一种葫芦素糖苷,可以从墨西哥小雪茄 (Cigarrilla mexicana) 的 MeOH 提取物中提取出来。
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