Cas no 516-42-7 (a-Cortolone)

a-Cortolone structure
a-Cortolone structure
Product Name:a-Cortolone
CAS No:516-42-7
MF:C21H34O5
MW:366.49166727066
CID:368112
PubChem ID:160499
Update Time:2025-04-19

a-Cortolone Chemical and Physical Properties

Names and Identifiers

    • Pregnan-11-one,3,17,20,21-tetrahydroxy-, (3a,5b,20S)-
    • α-Cortolone
    • (3R,5R,8S,9S,10S,13S,14S,17R)-17-[(1S)-1,2-dihydroxyethyl]-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
    • 5B-PREGNAN-3A,17A,20A,21-TETROL-11-ONE
    • 20alpha-Cortolone
    • AC1L4NQA
    • AC1Q6IFF
    • a-Cortolone
    • Cortolon
    • Cortolone
    • 5.beta.-Pregnan-11-one,17,20.alpha.,21-tetrahydroxy-
    • 3.alpha.,20.alpha.,21-Tetrahydroxy-5.beta.-pregnan-11-one
    • Pregnan-11-one,17,20,21-tetrahydroxy-, (3.alpha.,5.beta.,20S)-
    • NSC-59872
    • 3J9D9J550A
    • Q27106233
    • Pregnan-11-one, 3,17,20,21-tetrahydroxy-, (3.alpha.,5.beta.,20S)-
    • C05481
    • DTXSID10904343
    • UNII-3J9D9J550A
    • 5.beta.-Pregnane-3.alpha.,20.alpha.,21-tetrol-11-one
    • NS00122712
    • 5a,17,20a,21-tetrol-11-one
    • 5beta-Pregnane-3alpha,17,20alpha,21-tetrol-11-one
    • NSC59872
    • CHEMBL1908042
    • 3alpha,17alpha,20alpha,21-Tetrahydroxy-5beta-pregnan-11-one
    • Pregnan-11-one, 3,17,20,21-tetrahydroxy-, (3alpha,5beta,20S)-
    • NSC 59872
    • 5beta-Pregnan-11-one, 3alpha,17,20alpha,21-tetrahydroxy-
    • alpha-Cortolone
    • CORTOLONE [MI]
    • 5beta-11-oxo-pregnane-3alpha, 11beta ,17, 20S, 21-tetrol
    • 20.alpha.-Cortolone
    • CHEBI:3899
    • 516-42-7
    • .alpha.-Cortolone
    • Inchi： 1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,17-18,22-23,25-26H,3-11H2,1-2H3/t12-,13-,14+,15+,17+,18-,19+,20+,21+/m1/s1
    • InChI Key： JXCOSKURGJMQSG-AZQJGLEESA-N
    • SMILES： O[C@]1([C@H](CO)O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C(C[C@@]21C)=O)O

Computed Properties

  • Exact Mass: 366.24072
  • Monoisotopic Mass: 366.24062418g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 2
  • Complexity: 593
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 98?2
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 1.8

Experimental Properties

  • Melting Point: 208-209°
  • PSA: 97.99
  • LogP: 1.65330
  • Specific Rotation: D25 +44° (c = 0.5 in ethanol); D28 +34.2° (ethanol)

a-Cortolone Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
C696280-2.5mg
a-Cortolone
 516-42-7
2.5mg
 $ 211.00 2023-09-08
TRC
C696280-25mg
a-Cortolone
 516-42-7
25mg
 $ 1596.00 2023-09-08
1PlusChem
1P00DC5F-1mg
ALPHA-CORTOLONE
 516-42-7 ≥98%
1mg
 $135.00 2024-04-30
1PlusChem
1P00DC5F-5mg
ALPHA-CORTOLONE
 516-42-7 ≥98%
5mg
 $495.00 2024-04-30
1PlusChem
1P00DC5F-10mg
ALPHA-CORTOLONE
 516-42-7 ≥98%
10mg
 $801.00 2024-04-30
1PlusChem
1P00DC5F-25mg
ALPHA-CORTOLONE
 516-42-7 ≥98%
25mg
 $1307.00 2024-04-30

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