Cas no 3483-01-0 ( )

  structure
  structure
Product Name: 
CAS No:3483-01-0
MF:C21H36O2
MW:320.509346961975
CID:919559
PubChem ID:259697
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • (3R,5S,8R,9S,10S,13S,14S,17S)-3-methoxy-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol
    • AC1LTBQD
    • ethyl 2-({[(3-methylphenyl)carbonylamino]thioxomethyl}amino)-4,5,6-trihydrocyc lopenta[2,1-b]thiophene-3-carboxylate
    • Oprea1_089012
    • Androstan-17-ol, 3-methoxy-17-methyl-, (3alpha,5alpha,17beta)-
    • NSC-89848
    • 3alpha-Methoxy-17-methyl-5alpha-androstan-17beta-ol
    • NSC89848
    • UNII-ZMB859QQRP
    • Androstan-17-ol, (3.alpha.,5.alpha.,17.beta.)-
    • ZMB859QQRP
    • Q27295735
    • (3alpha,5alpha,17beta)-3-methoxy-17-methylandrostan-17-ol
    • 5alpha-Androstan-17beta-ol, 3alpha-methoxy-17-methyl-
    • 3.ALPHA.-METHOXY-17-METHYL-5.ALPHA.-ANDROSTAN-17.BETA.-OL
    • 5.ALPHA.-ANDROSTAN-17.BETA.-OL, 3.ALPHA.-METHOXY-17-METHYL-
    • 3483-01-0
    • Androstan-17-ol, 3-methoxy-17-methyl-, (3.alpha.,5.alpha.,17.beta.)-
    •  
    • Inchi： 1S/C21H36O2/c1-19-10-7-15(23-4)13-14(19)5-6-16-17(19)8-11-20(2)18(16)9-12-21(20,3)22/h14-18,22H,5-13H2,1-4H3/t14-,15+,16+,17-,18-,19-,20-,21-/m0/s1
    • InChI Key： INYNLZJYFAWXJN-JRRMKBMNSA-N
    • SMILES： O[C@@]1(C)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](C[C@@H]3CC[C@H]12)OC

Computed Properties

  • Exact Mass: 320.27168
  • Monoisotopic Mass: 320.271530387g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 1
  • Complexity: 477
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.9
  • Topological Polar Surface Area: 29.5?2

Experimental Properties

  • PSA: 29.46
  • LogP: 4.79510

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