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HIT218635054
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HIT218635054
  • HIT ID:HIT218635054
  • Cas No:4952-66-3
  • Common Name:Diosgenin palmitate
  • IUPAC:(1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-18'-en-16'-yl hexadecanoate
    IUPAC:(1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-18'-en-16'-yl hexadecanoate
  • InChI key:UTLFPCHHNIPLBC-PUYSEAGNSA-N
  • Molecular Formula:C43H72O4
  • Molecular Weight:653.045
  • Hydrogen Bond Donor (HBD):
  • Hydrogen Bond Acceptor (HBA):
  • LogP:
  • SMILES:[H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@H](C)CO1)O2)OC(=O)CCCCCCCCCCCCCCC
    SMILES:[H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@H](C)CO1)O2)OC(=O)CCCCCCCCCCCCCCC
  • Diosgenin palmitate (Compound 7) is a steroidal compound found in Dioscorea collettii.
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