Cas no 2284-32-4 (Estra-1,3,5(10)-triene-3,16,17-triol,3,16,17-triacetate, (16a,17b)-)

Estra-1,3,5(10)-triene-3,16,17-triol,3,16,17-triacetate, (16a,17b)- structure
2284-32-4 structure
Product Name:Estra-1,3,5(10)-triene-3,16,17-triol,3,16,17-triacetate, (16a,17b)-
CAS No:2284-32-4
MF:C24H30O6
MW:414.491407871246
CID:264342
PubChem ID:15125811
Update Time:2025-04-19

Estra-1,3,5(10)-triene-3,16,17-triol,3,16,17-triacetate, (16a,17b)- Chemical and Physical Properties

Names and Identifiers

    • Estra-1,3,5(10)-triene-3,16,17-triol,3,16,17-triacetate, (16a,17b)-
    • 1,3,5(10)-ESTRATRIEN-3,16A,17B-TRIOL 3,16,17-TRIACETATE
    • 3,16α,17β-estriol triacetate
    • Estriol 3,16α,17β-Triacetate
    • (17beta)-estra-1,3,5(10)-triene-3,16,17-triyl triacetate
    • Estra-1,3,5(10)-triene-3,16-alpha,17-beta-triol, triacetate (ester)
    • Estriol, triacetate
    • Oestriol triacetate
    • Estriol 3,16a,17b-Triacetate
    • [(8R,9S,13S,14S,16R,17R)-3,17-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] acetate
    • UNII-Y14M23K44M
    • DTXSID90945537
    • Estriol triacetate
    • ESTRIOL TRIACETATE [MI]
    • Estra-1,3,5(10)-triene-3,16,17-triol, triacetate, (16.alpha.,17.beta.)-
    • Q27294123
    • Estriol 3,16.alpha.,17.beta.-triacetate
    • Estriol 3,16,17-triacetate
    • [(8R, 9S, 13S, 14S, 16R, 17R)-3, 17-diacetyloxy-13-methyl-6, 7, 8, 9, 11, 12, 14, 15, 16, 17-decahydrocyclopenta[a]phenanthren-16-yl] acetate
    • DKZPDNPWKHTWCC-YYTJJFCCSA-N
    • 2284-32-4
    • Estra-1,3,5(10)-triene-3,16-.alpha.,17-.beta.-triol, triacetate
    • ESTRA-1,3,5(10)-TRIENE-3,16,17-TRIOL, 3,16,17-TRIACETATE, (16.ALPHA.,17.BETA.)-
    • Estra-1,3,5(10)-triene-3,16,17-triol, triacetate, (16a,17b)-
    • 16,17-Bis(acetyloxy)estra-1,3,5(10)-trien-3-yl acetate #
    • Y14M23K44M
    • SCHEMBL2519920
    • Inchi： 1S/C24H30O6/c1-13(25)28-17-6-8-18-16(11-17)5-7-20-19(18)9-10-24(4)21(20)12-22(29-14(2)26)23(24)30-15(3)27/h6,8,11,19-23H,5,7,9-10,12H2,1-4H3/t19-,20-,21+,22-,23+,24+/m1/s1
    • InChI Key： DKZPDNPWKHTWCC-YYTJJFCCSA-N
    • SMILES： O(C(C)=O)[C@H]1[C@@H](C[C@H]2[C@@H]3CCC4C=C(C=CC=4[C@H]3CC[C@@]21C)OC(C)=O)OC(C)=O

Computed Properties

  • Exact Mass: 414.2043
  • Monoisotopic Mass: 414.204239
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 6
  • Complexity: 704
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 5
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.7
  • Topological Polar Surface Area: 78.9

Experimental Properties

  • Density: 1.22
  • Boiling Point: 509.5°Cat760mmHg
  • Flash Point: 218.9°C
  • Refractive Index: 1.558
  • PSA: 78.9
  • LogP: 3.94130

Estra-1,3,5(10)-triene-3,16,17-triol,3,16,17-triacetate, (16a,17b)- Security Information

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Related Categories

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