Cas no 19304-29-1 (Pregn-4-ene-3,20-dione,6-methyl-16,17-[(1-methylethylidene)bis(oxy)]-, (6a,16a)- (9CI))

Pregn-4-ene-3,20-dione,6-methyl-16,17-[(1-methylethylidene)bis(oxy)]-, (6a,16a)- (9CI) structure
19304-29-1 structure
Product Name:Pregn-4-ene-3,20-dione,6-methyl-16,17-[(1-methylethylidene)bis(oxy)]-, (6a,16a)- (9CI)
CAS No:19304-29-1
MF:C25H36O4
MW:400.550948143005
CID:146662
PubChem ID:245229
Update Time:2025-04-19

Pregn-4-ene-3,20-dione,6-methyl-16,17-[(1-methylethylidene)bis(oxy)]-, (6a,16a)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Pregn-4-ene-3,20-dione,6-methyl-16,17-[(1-methylethylidene)bis(oxy)]-, (6a,16a)- (9CI)
    • 16-.alpha., 17-dihydroxy-6-.alpha.-methylpregn-4-ene-3,20-dione, cycli c acetal with acetone
    • 16-.α.,17-dihydroxy-6-.α.-methylpregn-4-ene-3,20-dione, cyclic acetal with acetone
    • (4aR,4bS,6aS,6bS,9aR,10aS,10bR,12S)-6b-acetyl-4a,6a,8,8,12-pentamethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one
    • (6bS,9aR,12S)-6b-acetyl-4a,6a,8,8,12-pentamethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one
    • Pregn-4-ene-3, 6-methyl-16,17-[(1-methylethylidene)bis(oxy)]-, (6.alpha.,16.alpha.)-
    • CHEBI:79782
    • NSC 56948
    • 16-.alpha.,17-isopropylidenedioxy-6-.alpha.-methylprogesterone
    • PREGN-4-ENE-3,20-DIONE, 16.ALPHA.,17-DIHYDROXY-6.ALPHA.-METHYL-, CYCLIC ACETAL WITH ACETONE
    • A564VVA55Z
    • NSC56948
    • PROGESTERONE, 16.ALPHA.,17-DIHYDROXY-6.ALPHA.-METHYL-, CYCLIC 16,17-ACETAL WITH ACETONE
    • 19304-29-1
    • PREGN-4-ENE-3,20-DIONE, 6-METHYL-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-, (6.ALPHA.,16.ALPHA.)-
    • (1R,2S,4R,8S,9S,12S,13R,19S)-8-acetyl-6,6,9,13,19-pentamethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one
    • 16.ALPHA.,17-ISOPROPYLIDENEDIOXY-6.ALPHA.-METHYLPROGESTERONE
    • UNII-A564VVA55Z
    • 16-.alpha.,20-dione, cyclic acetal with acetone
    • Pregn-4-ene-3, 16.alpha.,17-(isopropylidenedioxy)-6.alpha.-methyl-
    • Q27148916
    • NSC-56948
    • 16alpha,17-Isopropylidenedioxy-6alpha-methylprogesterone
    • 16alpha,17-Dihydroxy-6alpha-methylpregn-4-ene-3,20-dione cyclic acetal with acetone
    • 6-.alpha.-Methyl-16-.alpha.-17-[(1-methylethylidene)bis(oxy)]-pregn-4-ene-3,20-dione
    • Progesterone,17-(isopropylidenedioxy)-6.alpha.-methyl-
    • Inchi： 1S/C25H36O4/c1-14-11-17-18(23(5)9-7-16(27)12-19(14)23)8-10-24(6)20(17)13-21-25(24,15(2)26)29-22(3,4)28-21/h12,14,17-18,20-21H,7-11,13H2,1-6H3/t14-,17+,18-,20-,21+,23+,24-,25+/m0/s1
    • InChI Key： YWMWIAVBBQGFEY-MTJPYDJLSA-N
    • SMILES： O1C(C)(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](C)C5=CC(CC[C@]5(C)[C@H]4CC[C@]3(C)[C@]12C(C)=O)=O

Computed Properties

  • Exact Mass: 400.26100
  • Monoisotopic Mass: 400.261
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 1
  • Complexity: 812
  • 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: 3.8
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • Density: 1.14
  • Boiling Point: 507.5°Cat760mmHg
  • Flash Point: 217.6°C
  • Refractive Index: 1.549
  • PSA: 52.60000
  • LogP: 4.85350

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