Cas no 1249-66-7 (Pregn-5-en-20-one,3-(acetyloxy)-17-hydroxy-16-methyl-, (3b,16a)- (9CI))

Pregn-5-en-20-one,3-(acetyloxy)-17-hydroxy-16-methyl-, (3b,16a)- (9CI) structure
1249-66-7 structure
Product Name:Pregn-5-en-20-one,3-(acetyloxy)-17-hydroxy-16-methyl-, (3b,16a)- (9CI)
CAS No:1249-66-7
MF:C24H36O4
MW:388.540247917175
CID:117546
PubChem ID:57347261
Update Time:2025-04-18

Pregn-5-en-20-one,3-(acetyloxy)-17-hydroxy-16-methyl-, (3b,16a)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Pregn-5-en-20-one,3-(acetyloxy)-17-hydroxy-16-methyl-, (3b,16a)- (9CI)
    • 3,17-Dihydroxy-16-methylpregn-5-en-20-one 3-acetate
    • [(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13,16-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
    • DTXSID10721411
    • 1249-66-7
    • 17-Hydroxy-16-methyl-20-oxopregn-5-en-3-yl acetate
    • Inchi： 1S/C24H36O4/c1-14-12-21-19-7-6-17-13-18(28-16(3)26)8-10-22(17,4)20(19)9-11-23(21,5)24(14,27)15(2)25/h6,14,18-21,27H,7-13H2,1-5H3/t14?,18?,19-,20+,21+,22+,23+,24+/m1/s1
    • InChI Key： PBWPIBBLWBUSGM-WNARXDGSSA-N
    • SMILES： O[C@]1(C(C)=O)C(C)C[C@H]2[C@@H]3CC=C4CC(CC[C@]4(C)[C@H]3CC[C@@]21C)OC(C)=O

Computed Properties

  • Exact Mass: 388.26135963g/mol
  • Monoisotopic Mass: 388.26135963g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 3
  • Complexity: 726
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.9
  • Topological Polar Surface Area: 63.6?2

Pregn-5-en-20-one,3-(acetyloxy)-17-hydroxy-16-methyl-, (3b,16a)- (9CI) Related Literature

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