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Substance Name: Benzo(d,e)estra-1,3,5(10)-triene-3,17beta-diol 17-acetate
RN: 77732-98-0
InChIKey: UQMWONXHWZFMFZ-RLFRMEMMSA-N

Note

  • Does not have the hormonal activity of estradiol.

Molecular Weight

  • 350.455
 
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Names and Synonyms

Name of Substance

  • Benzo(d,e)estra-1,3,5(10)-triene-3,17beta-diol 17-acetate

Synonym

  • BETDA

Systematic Name

  • Benz(4,5,6)estra-1(10),2,4-triene-3,17-diol, 17-acetate, (17beta)-

Registry Numbers

CAS Registry Number

  • 77732-98-0

System Generated Number

  • 0077732980

Structure Descriptors

InChI

1S/C23H26O3/c1-13(24)26-21-9-7-19-18-12-14-4-3-5-17-20(25)8-6-16(22(14)17)15(18)10-11-23(19,21)2/h3-6,8,15,18-19,21,25H,7,9-12H2,1-2H3/t15-,18-,19+,21+,23+/m1/s1

InChIKey

UQMWONXHWZFMFZ-RLFRMEMMSA-N

Smiles

c1cc2c3c(c1O)cccc3C[C@H]1[C@H]3[C@@](CC[C@H]21)([C@H](CC3)OC(C)=O)C