Cas no 53962-32-6 (Pregna-1,4-dien-21-oicacid, 9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-3,20-dioxo-,methyl ester, (11b,16a)- (9CI))

Pregna-1,4-dien-21-oicacid, 9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-3,20-dioxo-,methyl ester, (11b,16a)- (9CI) structure
53962-32-6 structure
Product Name:Pregna-1,4-dien-21-oicacid, 9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-3,20-dioxo-,methyl ester, (11b,16a)- (9CI)
CAS No:53962-32-6
MF:C25H31FO7
MW:462.507851839066
CID:370877
PubChem ID:9890537
Update Time:2025-04-19

Pregna-1,4-dien-21-oicacid, 9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-3,20-dioxo-,methyl ester, (11b,16a)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Pregna-1,4-dien-21-oicacid, 9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-3,20-dioxo-,methyl ester, (11b,16a)- (9CI)
    • TA Oic methyl ester
    • triamcinolone acetonide 21-oic acid methyl ester
    • methyl 2-[(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoacetate
    • 53962-32-6
    • Inchi： 1S/C25H31FO7/c1-21(2)32-18-11-16-15-7-6-13-10-14(27)8-9-22(13,3)24(15,26)17(28)12-23(16,4)25(18,33-21)19(29)20(30)31-5/h8-10,15-18,28H,6-7,11-12H2,1-5H3/t15-,16-,17-,18+,22-,23-,24-,25-/m0/s1
    • InChI Key： MDMRGBNICACKDW-SBDPADKDSA-N
    • SMILES： F[C@@]12[C@]3(C=CC(C=C3CC[C@H]1[C@@H]1C[C@@H]3[C@](C(C(=O)OC)=O)([C@@]1(C)C[C@@H]2O)OC(C)(C)O3)=O)C

Computed Properties

  • Exact Mass: 462.20543
  • Monoisotopic Mass: 462.205382
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 3
  • Complexity: 1020
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.2
  • Topological Polar Surface Area: 99.1

Experimental Properties

  • Density: 1.33
  • Boiling Point: 577.9°Cat760mmHg
  • Flash Point: 303.3°C
  • Refractive Index: 1.574
  • PSA: 99.13
  • LogP: 2.59950

Pregna-1,4-dien-21-oicacid, 9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-3,20-dioxo-,methyl ester, (11b,16a)- (9CI) Related Literature

Related Categories

53962-32-6 (Pregna-1,4-dien-21-oicacid, 9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-3,20-dioxo-,methyl ester, (11b,16a)- (9CI)) Related Products

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