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Substance Name: alpha-Estradiol 3-benzoate
RN: 6045-53-0
UNII: EB090UC9W9
InChIKey: UYIFTLBWAOGQBI-ABMICEGHSA-N

Molecular Formula

  • C25-H28-O3

Molecular Weight

  • 376.493
 
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Names and Synonyms

Name of Substance

  • alpha-Estradiol 3-benzoate

Synonyms

  • EINECS 227-938-5
  • UNII-EB090UC9W9

Systematic Name

  • Estra-1,3,5(10)-triene-3,17alpha-diol 3-benzoate

Registry Numbers

CAS Registry Number

  • 6045-53-0

FDA UNII

  • EB090UC9W9

System Generated Number

  • 0006045530

Structure Descriptors

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

Smiles

c12[C@H]3CC[C@@]4([C@@H](CC[C@@H]4[C@@H]3CCc1cc(OC(=O)c1ccccc1)cc2)O)C