(17alpha)-17-Hydroxyestra-1,3,5(10)-trien-3-yl benzoate | CAS No. 6045-53-0

(17alpha)-17-Hydroxyestra-1,3,5(10)-trien-3-yl benzoate

Basic Information

CAS Number

6045-53-0

Molecular Formula

C25H28O3

Molecular Weight

376.5 g/mol

AD

Basic Physical Properties

C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(OC(=O)C3=CC=CC=C3)=C4)[C@@H]1CC[C@H]2O

InChI

InChI=1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23-,25+/m1/s1

InChIKey

UYIFTLBWAOGQBI-ABMICEGHSA-N

LogP

5.122800000000006

Topological Polar Surface Area

46.53 Ų

Hydrogen Bond Donor/Acceptor

1 / 3

Synonyms & References

English

  • Estra-1,3,5(10)-triene-3,17-diol,3-benzoate, (17a)-(9CI)
  • estra-1,3,5(10)-triene-3,17alpha-diol 3-benzoate
  • Estradiol-benzoat
  • α-Estradiol 3-Benzoate
  • (17alpha)-17-hydroxyestra-1,3,5(10)-trien-3-yl benzoate
  • 2-hydroxy-2,2-diphenyl-1-(4-phenylpiperazin-1-yl)ethanone

MDL Number

MFCD01822033

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