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HIT218839831
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HIT218839831
  • HIT ID:HIT218839831
  • Cas No:71247-78-4
  • 常用名:(1R,4S,5R,8S,11R,13R,14S,17R,18S,21S)-21-hydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.0^{1,18}.0^{4,17}.0^{5,14}.0^{8,13}]tetracosane-11-carboxylic acid
    常用名:(1R,4S,5R,8S,11R,13R,14S,17R,18S,21S)-21-hydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.0^{1,18}.0^{4,17}.0^{5,14}.0^{8,13}]tetracosane-11-carboxylic acid
  • IUPAC:(1R,4S,5R,8S,11R,13R,14S,17R,18S,21S)-21-hydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.0^{1,18}.0^{4,17}.0^{5,14}.0^{8,13}]tetracosane-11-carboxylic acid
    IUPAC:(1R,4S,5R,8S,11R,13R,14S,17R,18S,21S)-21-hydroxy-5,8,11,14,17,24-hexamethyl-22-oxahexacyclo[19.2.1.0^{1,18}.0^{4,17}.0^{5,14}.0^{8,13}]tetracosane-11-carboxylic acid
  • InChI key:ZXENWDWQTWYUGY-JKGIKAINSA-N
  • 分子式:C30H48O4
  • 分子量:472.71
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[H][C@@]12CC[C@]3(O)OC[C@@]1(CC[C@@]1([H])[C@@]2(C)CC[C@@]2(C)[C@]4([H])C[C@@](C)(CC[C@]4(C)CC[C@]12C)C(O)=O)C3C
    SMILES:[H][C@@]12CC[C@]3(O)OC[C@@]1(CC[C@@]1([H])[C@@]2(C)CC[C@@]2(C)[C@]4([H])C[C@@](C)(CC[C@]4(C)CC[C@]12C)C(O)=O)C3C
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