Cas no 566-03-0 (Tetrahydrodehydrocorticosterone)

Tetrahydrodehydrocorticosterone structure
566-03-0 structure
Product Name:Tetrahydrodehydrocorticosterone
CAS No:566-03-0
MF:C21H32O4
MW:348.476387023926
CID:371321
PubChem ID:223684
Update Time:2025-04-19

Tetrahydrodehydrocorticosterone Chemical and Physical Properties

Names and Identifiers

    • Pregnane-11,20-dione,3,21-dihydroxy-, (3a,5b)-
    • 3-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
    • 5-B-PREGNANE-3-A-21-DIOL-11-20-DIONE
    • Tetrahydrodehydrocor
    • TETRAHYDRODEHYDROCOR?TICOSTERONE
    • Tetrahydrodehydrocor?ticosterone
    • 3alpha,21-dihydroxy-5beta-pregnane-11,20-dione
    • tetrahydro-11-dehydrocorticosterone
    • tetrahydro-Kendall's A
    • HY-W588255
    • EINECS 209-295-2
    • NSC 11574
    • 9CC60D5C-C0F1-40A6-AC82-41665186A079
    • CS-0644144
    • 5beta-pregnan-3alpha,21-diol-11,20-dione
    • NS00042799
    • NSC11574
    • NSC-11574
    • DTXSID501293596
    • Pregnane-3alpha,21-diol-11,20-dione, 5beta-
    • SCHEMBL2512342
    • 566-03-0
    • (3R,5R,8S,9S,10S,13S,14S,17S)-3-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
    • C05478
    • 5beta-Pregnane-3alpha,21-diol-11,20-dione
    • Tetrahydrodehydrocorticosterone
    • Inchi： 1S/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-16,19,22-23H,3-11H2,1-2H3/t12-,13-,14+,15+,16-,19-,20+,21+/m1/s1
    • InChI Key： XWYBFXIUISNTQG-RHBMFIQRSA-N
    • SMILES： O=C1C[C@]2(C)[C@@H](C(CO)=O)CC[C@H]2[C@@H]2CC[C@@H]3C[C@@H](CC[C@]3(C)[C@H]21)O

Computed Properties

  • Exact Mass: 348.23016
  • Monoisotopic Mass: 348.23005950g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 2
  • Complexity: 586
  • 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: 2.6
  • Topological Polar Surface Area: 74.6?2

Experimental Properties

  • PSA: 74.6
  • LogP: 2.74660

Tetrahydrodehydrocorticosterone Pricemore >>

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