Cas no 595-77-7 (Algestone)

Algestone structure
Algestone structure
Product Name:Algestone
CAS No:595-77-7
MF:C21H30O4
MW:346.460506916046
CID:38648
PubChem ID:11687
Update Time:2025-04-18

Algestone Chemical and Physical Properties

Names and Identifiers

    • Algestone
    • 16a,17a-Dihydroxyprogesterone
    • (8R,9S,10R,13S,14S,16R,17S)-17-acetyl-16,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
    • CORTODOXONE
    • 16alpha,17-Dihydroxypregn-4-ene-3,20-dione
    • Algestona
    • Algestonum
    • Alphasone
    • W-105315
    • Alfasone; Alphasone
    • (16.ALPHA.)-16,17-DIHYDROXYPREGN-4-ENE-3,20-DIONE
    • AC-1645
    • (16alpha)-16,17-dihydroxypregn-4-ene-3,20-dione
    • DTXSID40208200
    • 16alpha,17-Dihydroxy-4-pregnen-3,20-dion
    • 3JEB53B3WT
    • ALGESTONE [MI]
    • BDBM50474602
    • 595-77-7
    • UNII-3JEB53B3WT
    • 16alpha,17alpha-dihydroxyprogesterone
    • 16.ALPHA.,17-DIHYDROXYPROGESTERONE
    • Algestona [INN-Spanish]
    • AKOS025401436
    • CHEBI:763
    • SCHEMBL26178
    • C06391
    • CHEMBL2311120
    • Pregn-4-ene-3,20-dione, 16,17-dihydroxy-, (16alpha)-
    • Algestone [INN]
    • EINECS 209-869-2
    • 4-PREGNENE-16.ALPHA.,17.ALPHA.-DIOL-3,20-DIONE
    • NS00010322
    • ALGESTONE [WHO-DD]
    • Q4724191
    • Algestonum [INN-Latin]
    • 16.ALPHA.,17-DIHYDROXYPREGN-4-ENE-3,20-DIONE
    • 3-fluoropyridin-2-ylboronic?acid
    • LMST02030171
    • CXDWHYOBSJTRJU-SRWWVFQWSA-N
    • 16 alpha,17-Dihydroxypregn-4-ene-3,20-dione
    • 16ALPHA,17-DIHYDROXYPROGESTERONE
    • Algestona (INN-Spanish)
    • 16 alpha,17 alpha-dihydroxyprogesterone
    • 4-PREGNENE-16ALPHA,17ALPHA-DIOL-3,20-DIONE
    • Algestonum (INN-Latin)
    • DTXCID20130691
    • MDL: MFCD00271948
    • Inchi: 1S/C21H30O4/c1-12(22)21(25)18(24)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h10,15-18,24-25H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19+,20+,21-/m1/s1
    • InChI Key: CXDWHYOBSJTRJU-SRWWVFQWSA-N
    • SMILES: O[C@]1(C(C)=O)[C@@H](C[C@H]2[C@@H]3CCC4=CC(CC[C@]4(C)[C@H]3CC[C@@]21C)=O)O

Computed Properties

  • Exact Mass: 346.21400
  • Monoisotopic Mass: 346.21440943g/mol
  • 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: 2.7
  • Topological Polar Surface Area: 74.6?2

Experimental Properties

  • Melting Point: 225°
  • PSA: 74.60000
  • LogP: 2.80920
  • Specific Rotation: D22 +95° (c = 0.81 in CHCl3)

Algestone Pricemore >>

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