Cas no 126223-60-7 (Acetamide,N-[(5S)-6,7-dihydro-4-hydroxy-3,9,10,11-tetramethoxy-5H-dibenzo[a,c]cyclohepten-5-yl]-)

Acetamide,N-[(5S)-6,7-dihydro-4-hydroxy-3,9,10,11-tetramethoxy-5H-dibenzo[a,c]cyclohepten-5-yl]- structure
126223-60-7 structure
Product Name:Acetamide,N-[(5S)-6,7-dihydro-4-hydroxy-3,9,10,11-tetramethoxy-5H-dibenzo[a,c]cyclohepten-5-yl]-
CAS No:126223-60-7
MF:C21H25NO6
MW:387.42630648613
CID:215027
Update Time:2024-03-01

Acetamide,N-[(5S)-6,7-dihydro-4-hydroxy-3,9,10,11-tetramethoxy-5H-dibenzo[a,c]cyclohepten-5-yl]- Chemical and Physical Properties

Names and Identifiers

    • Acetamide,N-[(5S)-6,7-dihydro-4-hydroxy-3,9,10,11-tetramethoxy-5H-dibenzo[a,c]cyclohepten-5-yl]-
    • (-)-Androbiphenyline
    • 5H-Dibenzo[a,c]cycloheptene, acetamide deriv.
    • Acetamide,N-(6,7-dihydro-4-hydroxy-3,9,10,11-tetramethoxy-5H-dibenzo[a,c]cyclohepten-5-yl)-,(S)-
    • Androbiphenyline
    • Acetamide, N-[(5S)-6,7-dihydro-4-hydroxy-3,9,10,11-tetramethoxy-5H-dibenzo[a,c]cyclohepten-5-yl]-
    • Inchi: 1S/C21H25NO6/c1-11(23)22-14-8-6-12-10-16(26-3)20(27-4)21(28-5)17(12)13-7-9-15(25-2)19(24)18(13)14/h7,9-10,14,24H,6,8H2,1-5H3,(H,22,23)/t14-/m0/s1
    • InChI Key: DMFNBXZGZQLZMS-AWEZNQCLSA-N
    • SMILES: C(N[C@@H]1C2=C(O)C(OC)=CC=C2C2=C(OC)C(OC)=C(OC)C=C2CC1)(=O)C

Computed Properties

  • Exact Mass: 387.16825
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 28
  • XLogP3: 1.792

Experimental Properties

  • Density: 1.28±0.1 g/cm3(Predicted)
  • Boiling Point: 581.1±50.0 °C(Predicted)
  • PSA: 86.25
  • pka: 9.82±0.40(Predicted)
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