Cas no 600-48-6 ((6beta,11alpha)-6,11-dihydroxypregn-4-ene-3,20-dione)

(6beta,11alpha)-6,11-dihydroxypregn-4-ene-3,20-dione structure
600-48-6 structure
Product Name:(6beta,11alpha)-6,11-dihydroxypregn-4-ene-3,20-dione
CAS No:600-48-6
MF:C21H30O4
MW:346.460506916046
CID:951128
PubChem ID:222805
Update Time:2025-04-19

(6beta,11alpha)-6,11-dihydroxypregn-4-ene-3,20-dione Chemical and Physical Properties

Names and Identifiers

    • (6beta,11alpha)-6,11-dihydroxypregn-4-ene-3,20-dione
    • 17-acetyl-6,11-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
    • 6beta,11alpha-Dihydroxypregn-4-ene-3,20-dione
    • 6beta,11alpha-Dihydroxyprogesterone
    • CHEBI:79865
    • Pregn-4-ene-3,20-dione, 6beta,11alpha-dihydroxy-
    • VAQ5I8C7JS
    • UNII-VAQ5I8C7JS
    • NSC48978
    • NSC-48978
    • NSC9732
    • Q27149004
    • (6R,8S,9S,10R,11R,13S,14S,17S)-17-acetyl-6,11-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
    • NSC-9732
    • 6.BETA.,11.ALPHA.-DIHYDROXYPREGN-4-ENE-3,20-DIONE
    • 6.BETA.,11.ALPHA.-DIHYDROXYPROGESTERONE
    • 600-48-6
    • 6-beta,11-alpha-Dihydroxypregn-4-ene-3,20-dione
    • PREGN-4-ENE-3,20-DIONE, 6.BETA.,11.ALPHA.-DIHYDROXY-
    • Inchi： 1S/C21H30O4/c1-11(22)14-4-5-15-13-9-17(24)16-8-12(23)6-7-20(16,2)19(13)18(25)10-21(14,15)3/h8,13-15,17-19,24-25H,4-7,9-10H2,1-3H3
    • InChI Key： KDHBHXVDYRGRDL-UHFFFAOYSA-N
    • SMILES： CC(C1C2(C(C3C(C(C2)O)C2(C(=CC(CC2)=O)C(O)C3)C)CC1)C)=O

Computed Properties

  • Exact Mass: 346.2145
  • Monoisotopic Mass: 346.214409
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 1
  • Complexity: 652
  • 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: 1.1
  • Topological Polar Surface Area: 74.6

Experimental Properties

  • Density: 1.21
  • Boiling Point: 532.1°C at 760 mmHg
  • Flash Point: 289.7°C
  • Refractive Index: 1.573
  • PSA: 74.6
  • LogP: 2.66510

(6beta,11alpha)-6,11-dihydroxypregn-4-ene-3,20-dione Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Tetrahydrofuran ,  Water ;  12 d, pH 7.0, 30 °C
Reference
Biocatalyst mediated production of 6β,11α-dihydroxy derivatives of 4-ene-3-one steroids
Kolet, Swati P.; et al, Steroids, 2013, 78(11), 1152-1158

(6beta,11alpha)-6,11-dihydroxypregn-4-ene-3,20-dione Raw materials

(6beta,11alpha)-6,11-dihydroxypregn-4-ene-3,20-dione Preparation Products

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