Cas no 100239-45-0 (19-Norpregn-5(10)-en-20-yne-3,17-diol,7-methyl-, (3b,7a,17a)-)

19-Norpregn-5(10)-en-20-yne-3,17-diol,7-methyl-, (3b,7a,17a)- structure
100239-45-0 structure
Product Name:19-Norpregn-5(10)-en-20-yne-3,17-diol,7-methyl-, (3b,7a,17a)-
CAS No:100239-45-0
MF:C21H30O2
MW:314.461706638336
CID:124018
PubChem ID:9839851
Update Time:2024-11-04

19-Norpregn-5(10)-en-20-yne-3,17-diol,7-methyl-, (3b,7a,17a)- Chemical and Physical Properties

Names and Identifiers

    • 19-Norpregn-5(10)-en-20-yne-3,17-diol,7-methyl-, (3b,7a,17a)-
    • 3β-Hydroxy Tibolone
    • 3BETA-HYDROXYTIBOLONE
    • 3?-HYDROXY TIBOLONE
    • (3S,7R,8R,9S,13S,14S,17R)-17-ethynyl-7,13-dimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
    • (3β,7α,17α)-
    • 3-HYDROXYTIBOLONE
    • 3SS-HYDROXYTIBOLONE
    • (37a,17a)-3,17-Dihydroxy-7-methyl-19-norpregn-5(10)-en-20-yl-3-one,
    • (3β,7α,17α)-3,17-Dihydroxy-7-Methyl-19-norpregn-5(10)-en-20-yl-3-one-d4
    • (3BETA,7A,17A)-3,17-DIHYDROXY-7-METHYL-19-NORPREGN-5(10)-EN-20-YL-3-ONE
    • (3-beta-7-alpha-17-alpha)-3,17-Dihydroxy-7-methyl-19-norpregn-5(10)-en-20-yl-3-one]
    • 3.BETA.-HYDROXYTIBOLONE
    • ORG 30126
    • DTXSID301315930
    • 19-NORPREGN-5(10)-EN-20-YNE-3,17-DIOL, 7-METHYL-, (3.BETA.,7.ALPHA.,17.ALPHA.)-
    • YLEUWNOTNJZCBN-XAAPQAIWSA-N
    • TEP8IU9GMR
    • SCHEMBL8131681
    • 19-Norpregn-5(10)-en-20-yne-3,17-diol, 7-methyl-, (3beta,7alpha,17alpha)-
    • 3?-Hydroxy Tibolone
    • UNII-TEP8IU9GMR
    • 100239-45-0
    • (3.BETA.,7.ALPHA.,17.ALPHA.)-7-METHYL-19-NORPREGN-5(10)-EN-20-YNE-3,17-DIOL
    • 3beta-Hydroxy Tibolone (1mg/ml in Acetonitrile)
    • 3beta-Hydroxy Tibolone
    • 3b-Hydroxy Tibolone
    • (3BETA,7ALPHA,17ALPHA)-7-METHYL-19-NORPREGN-5(10)-EN-20-YNE-3,17-DIOL
    • Inchi： 1S/C21H30O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,15,17-19,22-23H,5-12H2,2-3H3/t13-,15+,17-,18+,19-,20+,21+/m1/s1
    • InChI Key： YLEUWNOTNJZCBN-XAAPQAIWSA-N
    • SMILES： O[C@@]1(C#C)CC[C@H]2[C@@H]3[C@H](C)CC4C[C@H](CCC=4[C@H]3CC[C@@]21C)O

Computed Properties

  • Exact Mass: 314.22500
  • Monoisotopic Mass: 314.224580195g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 1
  • Complexity: 596
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • Melting Point: 165-169°C
  • Refractive Index: 1.578
  • PSA: 40.46000
  • LogP: 3.67440

19-Norpregn-5(10)-en-20-yne-3,17-diol,7-methyl-, (3b,7a,17a)- Security Information

  • Storage Condition：-20°C Freezer

19-Norpregn-5(10)-en-20-yne-3,17-diol,7-methyl-, (3b,7a,17a)- Production Method

19-Norpregn-5(10)-en-20-yne-3,17-diol,7-methyl-, (3b,7a,17a)- Related Literature

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