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HIT218695053
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HIT218695053
  • HIT ID:HIT218695053
  • Cas No:
  • Common Name:methyl 2-[(1S,3aS,3bR,9aR,9bS,11aS)-5'-methoxy-5',11a-dimethyl-7-oxo-2,3,3a,3b,4,5,8,9,9a,9b,10,11-dodecahydrospiro[cyclopenta[a]phenanthrene-1,2'-[1,4]dioxolan]-3'-ylidene]acetate
    Common Name:methyl 2-[(1S,3aS,3bR,9aR,9bS,11aS)-5'-methoxy-5',11a-dimethyl-7-oxo-2,3,3a,3b,4,5,8,9,9a,9b,10,11-dodecahydrospiro[cyclopenta[a]phenanthrene-1,2'-[1,4]dioxolan]-3'-ylidene]acetate
  • IUPAC:methyl 2-[(1S,3aS,3bR,9aR,9bS,11aS)-5'-methoxy-5',11a-dimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-[1,4]dioxolan]-3'-ylidene]acetate
    IUPAC:methyl 2-[(1S,3aS,3bR,9aR,9bS,11aS)-5'-methoxy-5',11a-dimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-[1,4]dioxolan]-3'-ylidene]acetate
  • InChI key:KCQHQCDHFVGNMK-PQUNLUOYSA-N
  • Molecular Formula:C25H34O6
  • Molecular Weight:430.541
  • Hydrogen Bond Donor (HBD):
  • Hydrogen Bond Acceptor (HBA):
  • LogP:
  • SMILES:[H][C@@]12CC[C@]3(OC(C)(OC)O\C3=C\C(=O)OC)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]
    SMILES:[H][C@@]12CC[C@]3(OC(C)(OC)O\C3=C\C(=O)OC)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]
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