Cas no 27534-93-6 (Pregn-4-ene-3,20-dione,7-hydroxy-, (7a)-(9CI))

Pregn-4-ene-3,20-dione,7-hydroxy-, (7a)-(9CI) structure
27534-93-6 structure
Product Name:Pregn-4-ene-3,20-dione,7-hydroxy-, (7a)-(9CI)
CAS No:27534-93-6
MF:C21H30O3
MW:330.461106777191
CID:256334
PubChem ID:23239833
Update Time:2025-04-19

Pregn-4-ene-3,20-dione,7-hydroxy-, (7a)-(9CI) Chemical and Physical Properties

Names and Identifiers

    • Pregn-4-ene-3,20-dione,7-hydroxy-, (7a)-(9CI)
    • 7α-Hydroxyprogesterone
    • 7-Hydroxypregn-4-ene-3,20-dione
    • pregn-4-ene-3,20-dione, 7-hydroxy-
    • Pregn-4-ene-3,20-dione, 7-hydroxy-, (7alpha)-
    • 7alpha-Hydroxyprogesterone
    • 7-Hydroxyprogesterone
    • SCHEMBL3919404
    • 4-Pregnen-7alpha-ol-3,20-dione
    • 27534-93-6
    • Inchi： 1S/C21H30O3/c1-12(22)15-4-5-16-19-17(7-9-21(15,16)3)20(2)8-6-14(23)10-13(20)11-18(19)24/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19+,20+,21-/m1/s1
    • InChI Key： QRDYCDIUGUAUBZ-SRWWVFQWSA-N
    • SMILES： O[C@@H]1CC2=CC(CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](C(C)=O)CC[C@H]3[C@@H]21)=O

Computed Properties

  • Exact Mass: 330.2196
  • Monoisotopic Mass: 330.21949481g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 1
  • Complexity: 621
  • 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: 54.4?2

Experimental Properties

  • PSA: 54.37

Pregn-4-ene-3,20-dione,7-hydroxy-, (7a)-(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

Pregn-4-ene-3,20-dione,7-hydroxy-, (7a)-(9CI) Raw materials

Pregn-4-ene-3,20-dione,7-hydroxy-, (7a)-(9CI) Preparation Products

Pregn-4-ene-3,20-dione,7-hydroxy-, (7a)-(9CI) Related Literature

Related Categories

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