Cas no 51390-69-3 (Pregn-4-ene-21-carboxylicacid, 11,17-dihydroxy-3-oxo-, g-lactone, (11b,17a)- (9CI))

Pregn-4-ene-21-carboxylicacid, 11,17-dihydroxy-3-oxo-, g-lactone, (11b,17a)- (9CI) structure
51390-69-3 structure
Product Name:Pregn-4-ene-21-carboxylicacid, 11,17-dihydroxy-3-oxo-, g-lactone, (11b,17a)- (9CI)
CAS No:51390-69-3
MF:C22H30O4
MW:358.471207141876
CID:370957
PubChem ID:21133122
Update Time:2025-04-19

Pregn-4-ene-21-carboxylicacid, 11,17-dihydroxy-3-oxo-, g-lactone, (11b,17a)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Pregn-4-ene-21-carboxylicacid, 11,17-dihydroxy-3-oxo-, g-lactone, (11b,17a)- (9CI)
    • (8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
    • 3'-(3-oxo-11 beta,17-dihydroxy-4-androstene-17 alpha- yl)propionic acid lactone
    • 51390-69-3
    • Inchi： 1S/C22H30O4/c1-20-8-5-14(23)11-13(20)3-4-15-16-6-9-22(10-7-18(25)26-22)21(16,2)12-17(24)19(15)20/h11,15-17,19,24H,3-10,12H2,1-2H3
    • InChI Key： VKQZKUPABHSTTG-UHFFFAOYSA-N
    • SMILES： O1C(CCC21CCC1C3CCC4=CC(CCC4(C)C3C(CC12C)O)=O)=O

Computed Properties

  • Exact Mass: 358.2145
  • Monoisotopic Mass: 358.21440943g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 0
  • Complexity: 711
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 63.6?2
  • Surface Charge: 0
  • Tautomer Count: 10
  • XLogP3: nothing

Experimental Properties

  • Color/Form: Solid powder
  • PSA: 63.6

Pregn-4-ene-21-carboxylicacid, 11,17-dihydroxy-3-oxo-, g-lactone, (11b,17a)- (9CI) Security Information

  • Signal Word：Warning
  • Storage Condition：Dry, dark and store at 0-4℃ for short term (days to weeks) or -20℃ for long term (Store correctly 2-3years).

Pregn-4-ene-21-carboxylicacid, 11,17-dihydroxy-3-oxo-, g-lactone, (11b,17a)- (9CI) Related Literature

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