Cas no 95832-17-0 (Pregn-4-ene-3,20-dione,11,14-dihydroxy-, (11a)- (9CI))

Pregn-4-ene-3,20-dione,11,14-dihydroxy-, (11a)- (9CI) structure
95832-17-0 structure
Product Name:Pregn-4-ene-3,20-dione,11,14-dihydroxy-, (11a)- (9CI)
CAS No:95832-17-0
MF:C21H30O4
MW:346.460506916046
CID:809620
PubChem ID:125856
Update Time:2025-04-19

Pregn-4-ene-3,20-dione,11,14-dihydroxy-, (11a)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Pregn-4-ene-3,20-dione,11,14-dihydroxy-, (11a)- (9CI)
    • 11,14-dihydroxypregn-4-ene-3,20-dione
    • DTXSID00914799
    • HPED
    • 95832-17-0
    • Inchi： 1S/C21H30O4/c1-12(22)15-7-9-21(25)16-5-4-13-10-14(23)6-8-19(13,2)18(16)17(24)11-20(15,21)3/h10,15-18,24-25H,4-9,11H2,1-3H3/t15-,16-,17-,18-,19+,20-,21-/m1/s1
    • InChI Key： XVNVIIRMSUKNKJ-CJAFCWQJSA-N
    • SMILES： O[C@@]12CC[C@H](C(C)=O)[C@@]1(C)C[C@H]([C@@H]1[C@@]3(C)CCC(C=C3CC[C@@H]21)=O)O

Computed Properties

  • Exact Mass: 346.214
  • Monoisotopic Mass: 346.214
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 1
  • Complexity: 667
  • 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: 1.2
  • Topological Polar Surface Area: 74.6?2

Experimental Properties

  • Density: 1.21
  • Boiling Point: 522.2°Cat760mmHg
  • Flash Point: 283.7°C
  • Refractive Index: 1.576

Pregn-4-ene-3,20-dione,11,14-dihydroxy-, (11a)- (9CI) Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Glucose Solvents: Acetone ,  Water ;  3 d, 25 °C
Reference
Novel metabolites of dehydroepiandrosterone and progesterone obtained in Didymosphaeria igniaria KCH 6670 culture
Janeczko, Tomasz; et al, Journal of Molecular Catalysis B: Enzymatic, 2012, 82, 24-31

Production Method 2

Reaction Conditions
1.1 Reagents: Glucose Solvents: Acetone ,  Water ;  3 d, 25 °C
Reference
Novel metabolites of dehydroepiandrosterone and progesterone obtained in Didymosphaeria igniaria KCH 6670 culture
Janeczko, Tomasz; et al, Journal of Molecular Catalysis B: Enzymatic, 2012, 82, 24-31

Pregn-4-ene-3,20-dione,11,14-dihydroxy-, (11a)- (9CI) Raw materials

Pregn-4-ene-3,20-dione,11,14-dihydroxy-, (11a)- (9CI) Preparation Products

Pregn-4-ene-3,20-dione,11,14-dihydroxy-, (11a)- (9CI) Related Literature

95832-17-0 (Pregn-4-ene-3,20-dione,11,14-dihydroxy-, (11a)- (9CI)) Related Products

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