Cas no 13258-29-2 ((17-acetyl-17-acetyloxy-10,13-dimethyl-7-oxo-2,3,4,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-yl) Acetate)

(17-acetyl-17-acetyloxy-10,13-dimethyl-7-oxo-2,3,4,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-yl) Acetate structure
13258-29-2 structure
Product Name:(17-acetyl-17-acetyloxy-10,13-dimethyl-7-oxo-2,3,4,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-yl) Acetate
CAS No:13258-29-2
MF:C25H34O6
MW:430.533868312836
CID:1230845
PubChem ID:256884
Update Time:2025-04-20

(17-acetyl-17-acetyloxy-10,13-dimethyl-7-oxo-2,3,4,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-yl) Acetate Chemical and Physical Properties

Names and Identifiers

    • (17-acetyl-17-acetyloxy-10,13-dimethyl-7-oxo-2,3,4,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-yl) Acetate
    • CBMicro_049145
    • AKOS003608027
    • Ambcb5573193
    • AC1MEE2T
    • BIM-0049114.P001
    • CHEMBL2398396
    • CBMicro_049145; AKOS003608027; Ambcb5573193; AC1MEE2T; BIM-0049114.P001; CHEMBL2398396;
    • 13258-29-2
    • NSC-84402
    • NSC84402
    • Inchi： 1S/C25H34O6/c1-14(26)25(31-16(3)28)11-8-20-22-19(7-10-24(20,25)5)23(4)9-6-18(30-15(2)27)12-17(23)13-21(22)29/h13,18-20,22H,6-12H2,1-5H3/t18-,19-,20-,22+,23-,24-,25-/m0/s1
    • InChI Key： HIHMXBVWSAGCOJ-WEXULQILSA-N
    • SMILES： O(C(C)=O)[C@]1(C(C)=O)CC[C@H]2[C@@H]3C(C=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@@]21C)OC(C)=O)=O

Computed Properties

  • Exact Mass: 430.23562
  • Monoisotopic Mass: 430.236
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 5
  • Complexity: 873
  • 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: 3
  • Topological Polar Surface Area: 86.7?2

Experimental Properties

  • Density: 1.19
  • Boiling Point: 534.6°C at 760 mmHg
  • Flash Point: 228.6°C
  • Refractive Index: 1.541
  • PSA: 86.74
  • LogP: 3.95080

(17-acetyl-17-acetyloxy-10,13-dimethyl-7-oxo-2,3,4,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-yl) Acetate Related Literature

13258-29-2 ((17-acetyl-17-acetyloxy-10,13-dimethyl-7-oxo-2,3,4,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-yl) Acetate) Related Products

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