Cas no 125022-46-0 (1,8(2H,4bH)-Chrysenedione,3-(acetyloxy)-2-[(acetyloxy)acetyl]-10b-fluoro-3,4,4a,5,6,10a,10b,11,12,12a-decahydro-2,11-dihydroxy-10a,12a-dimethyl-,(2R,3R,4aS,4bS,10aS,10bR,11S,12aS)- (9CI))

1,8(2H,4bH)-Chrysenedione,3-(acetyloxy)-2-[(acetyloxy)acetyl]-10b-fluoro-3,4,4a,5,6,10a,10b,11,12,12a-decahydro-2,11-dihydroxy-10a,12a-dimethyl-,(2R,3R,4aS,4bS,10aS,10bR,11S,12aS)- (9CI) structure
125022-46-0 structure
Product Name:1,8(2H,4bH)-Chrysenedione,3-(acetyloxy)-2-[(acetyloxy)acetyl]-10b-fluoro-3,4,4a,5,6,10a,10b,11,12,12a-decahydro-2,11-dihydroxy-10a,12a-dimethyl-,(2R,3R,4aS,4bS,10aS,10bR,11S,12aS)- (9CI)
CAS No:125022-46-0
MF:C26H31FO9
MW:506.517352342606
CID:147142
PubChem ID:121486643
Update Time:2025-04-19

1,8(2H,4bH)-Chrysenedione,3-(acetyloxy)-2-[(acetyloxy)acetyl]-10b-fluoro-3,4,4a,5,6,10a,10b,11,12,12a-decahydro-2,11-dihydroxy-10a,12a-dimethyl-,(2R,3R,4aS,4bS,10aS,10bR,11S,12aS)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 1,8(2H,4bH)-Chrysenedione,3-(acetyloxy)-2-[(acetyloxy)acetyl]-10b-fluoro-3,4,4a,5,6,10a,10b,11,12,12a-decahydro-2,11-dihydroxy-10a,12a-dimethyl-,(2R,3R,4aS,4bS,10aS,10bR,11S,12aS)- (9CI)
    • [3-[(8S,10S,11S,13S,14S,16R,17R)-16-acetyloxy-11,17-dideuteriooxy-9-fluoro-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2,3-dioxopropyl] acetate
    • 1,8(2H,4bH)-Chrysenedione,3-(acetyloxy)-2-[(acetyloxy)acetyl]-10b-fluoro-3,4,4a,5,6,10a,10b,11,12,12a-decahydro-2,11-dihydrox
    • 1,8(2H,4bH)-Chrysenedione,3-(acetyloxy)-2-[(acetyloxy)acetyl]-10b-fluoro-3,4,4a,5,6,10a,10b,11...
    • 16-acetoxy-17-acetoxymethyl-11,17-dihydroxy-D-homoandrosta-1,4-diene-3,17-dione
    • 3-{(8S,10S,11S,13S,14S,16R,17R)-16-(acetyloxy)-9-fluoro-11,17-bis[(~2~H)hydroxy]-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl}-2,3-dioxopropyl acetate (non-preferred name)
    • Acacmehad
    • D(17a)-Homopregna-1,4-diene-3,17a,20-trione, 16,21-bis(acetyloxy)-9-fluoro-11,17-dihydroxy-, (11beta,16alpha)-
    • 125022-46-0
    • Inchi： 1S/C26H31FO9/c1-13(28)35-12-20(32)25(34)21(36-14(2)29)10-18-17-6-5-15-9-16(30)7-8-24(15,4)26(17,27)19(31)11-23(18,3)22(25)33/h7-9,17-19,21,31,34H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,23-,24-,25+,26-/m0/s1
    • InChI Key： IBRXJJNRHKEDOJ-WKYOYPDESA-N
    • SMILES： F[C@@]12[C@]3(C=CC(C=C3CC[C@H]1[C@@H]1C[C@H]([C@](C(COC(C)=O)=O)(C([C@@]1(C)C[C@@H]2O)=O)O)OC(C)=O)=O)C

Computed Properties

  • Exact Mass: 510.22031
  • Monoisotopic Mass: 508.207764
  • Isotope Atom Count: 2
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 7
  • Complexity: 1110
  • 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
  • Surface Charge: 0
  • Tautomer Count: 6
  • XLogP3: nothing
  • Topological Polar Surface Area: 144

Experimental Properties

  • Density: 1.39
  • Boiling Point: 630.9°C at 760 mmHg
  • Flash Point: 335.4°C
  • Refractive Index: 1.576
  • PSA: 122.27

1,8(2H,4bH)-Chrysenedione,3-(acetyloxy)-2-[(acetyloxy)acetyl]-10b-fluoro-3,4,4a,5,6,10a,10b,11,12,12a-decahydro-2,11-dihydroxy-10a,12a-dimethyl-,(2R,3R,4aS,4bS,10aS,10bR,11S,12aS)- (9CI) Related Literature

125022-46-0 (1,8(2H,4bH)-Chrysenedione,3-(acetyloxy)-2-[(acetyloxy)acetyl]-10b-fluoro-3,4,4a,5,6,10a,10b,11,12,12a-decahydro-2,11-dihydroxy-10a,12a-dimethyl-,(2R,3R,4aS,4bS,10aS,10bR,11S,12aS)- (9CI)) Related Products

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