Cas no 135768-83-1 (14,21-Cyclo-19-norpregna-1,3,5(10)-triene-3,16,17-triol,(16a,17a)- (9CI))

14,21-Cyclo-19-norpregna-1,3,5(10)-triene-3,16,17-triol,(16a,17a)- (9CI) structure
135768-83-1 structure
Product Name:14,21-Cyclo-19-norpregna-1,3,5(10)-triene-3,16,17-triol,(16a,17a)- (9CI)
CAS No:135768-83-1
MF:C20H26O3
MW:314.418646335602
CID:150147
PubChem ID:15967764
Update Time:2025-04-19

14,21-Cyclo-19-norpregna-1,3,5(10)-triene-3,16,17-triol,(16a,17a)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 14,21-Cyclo-19-norpregna-1,3,5(10)-triene-3,16,17-triol,(16a,17a)- (9CI)
    • CYCLOTRIOL
    • (16-α,17-α)-14,21-Cyclo-19-norpregna-1,3,5(10)-triene-3,16,17-triol
    • 14,17α-ethanoestra-1,3,5(10)-trien-3,16α,17β-triol
    • 14,21-Cyclo-19-norpregna-1,3,5(10)-triene-3,16,17-triol, (16-α,17-α)-
    • 14alpha,17alpha-Ethano-1,3,5(10)-estratriene-3,16alpha,17-β-triol
    • CCRIS 6527
    • Zk 136295
    • 743NA857FA
    • (1S,2R,11S,14S,15R,16R)-14-methylpentacyclo[13.2.2.01,14.02,11.05,10]nonadeca-5(10),6,8-triene-7,15,16-triol
    • 14,17.ALPHA.-ETHANO-1,3,5(10)-ESTRATRIENE-3,16.ALPHA.,17.BETA.-TRIOL
    • 14,21-CYCLO-19-NORPREGNA-1,3,5(10)-TRIENE-3,16,17-TRIOL, (16.ALPHA.,17.ALPHA.)-
    • ZK-136295
    • 14alpha,17alpha-Ethano-1,3,5(10)-estratriene-3,16alpha,17-beta-triol
    • Q27896584
    • SCHEMBL259537
    • (16alpha,17alpha)-14,21-Cyclo-19-norpregna-1,3,5(10)-triene-3,16,17-triol
    • (16.ALPHA.,17.ALPHA.)-14,21-CYCLO-19-NORPREGNA-1,3,5(10)-TRIENE-3,16,17-TRIOL
    • 135768-83-1
    • UNII-743NA857FA
    • ZK-136295, (+)-
    • 14,21-Cyclo-19-norpregna-1,3,5(10)-triene-3,16,17-triol, (16-alpha,17-alpha)-
    • (16-alpha,17-alpha)-14,21-Cyclo-19-norpregna-1,3,5(10)-triene-3,16,17-triol
    • DTXSID00929146
    • Inchi： 1S/C20H26O3/c1-18-7-6-15-14-4-3-13(21)10-12(14)2-5-16(15)19(18)8-9-20(18,23)17(22)11-19/h3-4,10,15-17,21-23H,2,5-9,11H2,1H3/t15-,16-,17-,18+,19+,20+/m1/s1
    • InChI Key： PAMNOUDFJQSYMD-MUJBESKKSA-N
    • SMILES： O[C@@]12CC[C@]3(C[C@H]1O)[C@@H]1CCC4C=C(C=CC=4[C@H]1CC[C@@]32C)O

Computed Properties

  • Exact Mass: 314.18800
  • Monoisotopic Mass: 314.188195
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 0
  • Complexity: 521
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 60.7
  • XLogP3: 3.1

Experimental Properties

  • Density: 1.31
  • Boiling Point: 495.6°C at 760 mmHg
  • Flash Point: 231°C
  • Refractive Index: 1.659
  • PSA: 60.69000
  • LogP: 3.11420

14,21-Cyclo-19-norpregna-1,3,5(10)-triene-3,16,17-triol,(16a,17a)- (9CI) Related Literature

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