Cas no 130464-79-8 (Androst-4-en-3-one,17-[[(4-pentylcyclohexyl)carbonyl]oxy]-, [17b(trans)]- (9CI))

Androst-4-en-3-one,17-[[(4-pentylcyclohexyl)carbonyl]oxy]-, [17b(trans)]- (9CI) structure
130464-79-8 structure
Product Name:Androst-4-en-3-one,17-[[(4-pentylcyclohexyl)carbonyl]oxy]-, [17b(trans)]- (9CI)
CAS No:130464-79-8
MF:C31H48O3
MW:468.711030006409
CID:177492
PubChem ID:131219
Update Time:2025-04-19

Androst-4-en-3-one,17-[[(4-pentylcyclohexyl)carbonyl]oxy]-, [17b(trans)]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Androst-4-en-3-one,17-[[(4-pentylcyclohexyl)carbonyl]oxy]-, [17b(trans)]- (9CI)
    • [(8R,9S,10R,13S,14R,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 4-pentylcyclohexane-1-carboxylate
    • testosterone-4-n-pentylcyclohexyl carboxylate
    • (14beta,17beta)-3-oxoandrost-4-en-17-yl 4-pentylcyclohexanecarboxylate
    • Androst-4-en-3-one, 17-(((4-pentylcyclohexyl)carbonyl)oxy)-, (17beta(trans))-
    • TNPCC
    • 130464-79-8
    • 3-Oxoandrost-4-en-17-yl 4-pentylcyclohexane-1-carboxylate
    • DTXSID10926747
    • Inchi： 1S/C31H48O3/c1-4-5-6-7-21-8-10-22(11-9-21)29(33)34-28-15-14-26-25-13-12-23-20-24(32)16-18-30(23,2)27(25)17-19-31(26,28)3/h20-22,25-28H,4-19H2,1-3H3/t21?,22?,25-,26+,27-,28-,30-,31-/m0/s1
    • InChI Key： YEJKQRVAFMEOKN-QPUCLBINSA-N
    • SMILES： O(C(C1CCC(CCCCC)CC1)=O)[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(CC[C@]4(C)[C@H]3CC[C@@]21C)=O

Computed Properties

  • Exact Mass: 468.36054
  • Monoisotopic Mass: 468.36
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 7
  • Complexity: 806
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 8.4
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • Density: 1.06
  • Boiling Point: 566.6°Cat760mmHg
  • Flash Point: 237.1°C
  • Refractive Index: 1.536
  • PSA: 43.37
  • LogP: 7.81680

Androst-4-en-3-one,17-[[(4-pentylcyclohexyl)carbonyl]oxy]-, [17b(trans)]- (9CI) Related Literature

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