Cas no 70094-60-9 ((8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7-tetratritio-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one)

(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7-tetratritio-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one structure
70094-60-9 structure
Product Name:(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7-tetratritio-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
CAS No:70094-60-9
MF:C21H30O5
MW:370.492344379425
CID:974609
Update Time:2023-08-02

(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7-tetratritio-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one Chemical and Physical Properties

Names and Identifiers

    • hydrocortisone-[1,2,6,7-3h(n)]
    • (11beta)-11,17,21-trihydroxy(1,2,6,7-~3~H_4_)pregn-4-ene-3,20-dione
    • 1,2,6,7-(3H)Cortisol
    • Pregn-4-ene-3,20-dione-1,2,6,7-t4, 11,17,21-trihydroxy-, (11beta)-
    • (8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7-tetratritio-
    • (8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7-tetratritio-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
    • Inchi： 1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1/i3T,4T,5T,7T/t3?,4?,5?,7?,14-,15-,16-,18+,19-,20-,21-
    • InChI Key： JYGXADMDTFJGBT-YPISDNQJSA-N
    • SMILES： O[C@]1(C(CO)=O)CC[C@H]2[C@@H]3C([3H])C([3H])C4=CC(C([3H])C([3H])[C@]4(C)[C@H]3[C@H](C[C@@]21C)O)=O

Computed Properties

  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 2
  • Complexity: 684
  • XLogP3: 1.6
  • Topological Polar Surface Area: 94.8

(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7-tetratritio-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one Security Information

  • Hazardous Material transportation number：UN 2910 7
  • WGK Germany：3
  • Hazard Category Code： 11-36/37/38-63
  • Safety Instruction： 16-23-26-36
  • Hazardous Material Identification： F Xn R
  • Risk Phrases：11-36/37/38-63

(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7-tetratritio-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one Related Literature

70094-60-9 ((8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7-tetratritio-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one) Related Products

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