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  3. HIT220973218
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HIT220973218
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HIT220973218
  • HIT ID:HIT220973218
  • Cas No:71202-97-6
  • 常用名:2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl]-1-[(4S)-4-hydroxy-2-oxooxolan-3-yl]ethanesulfonic acid sodium
    常用名:2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl]-1-[(4S)-4-hydroxy-2-oxooxolan-3-yl]ethanesulfonic acid sodium
  • IUPAC:2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-decahydronaphthalen-1-yl]-1-[(4S)-4-hydroxy-2-oxooxolan-3-yl]ethane-1-sulfonic acid sodium
    IUPAC:2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-decahydronaphthalen-1-yl]-1-[(4S)-4-hydroxy-2-oxooxolan-3-yl]ethane-1-sulfonic acid sodium
  • InChI key:InChIKey=BOPHPTOHUVBEJZ-SVJVNAKLSA-N
  • 分子式:C20H32NaO8S
  • 分子量:455.52
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[Na].[H][C@]12CCC(=C)[C@@H](CC(C3[C@H](O)COC3=O)S(O)(=O)=O)[C@]1(C)CC[C@@H](O)[C@@]2(C)CO
    SMILES:[Na].[H][C@]12CCC(=C)[C@@H](CC(C3[C@H](O)COC3=O)S(O)(=O)=O)[C@]1(C)CC[C@@H](O)[C@@]2(C)CO
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