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Substance Name: Estradiol 17-acetate 3-benzoate
RN: 4954-17-0
UNII: T8X3S85D7Q
InChIKey: CRJBVQYNQZNAOQ-RYIFMDQWSA-N

Molecular Formula

  • C27-H30-O4

Molecular Weight

  • 418.53
 
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Names and Synonyms

Name of Substance

  • Estradiol 17-acetate 3-benzoate

Synonyms

  • EINECS 225-597-7
  • UNII-T8X3S85D7Q

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 4954-17-0

FDA UNII

  • T8X3S85D7Q

System Generated Number

  • 0004954170

Structure Descriptors

InChI

1S/C27H30O4/c1-17(28)30-25-13-12-24-23-10-8-19-16-20(31-26(29)18-6-4-3-5-7-18)9-11-21(19)22(23)14-15-27(24,25)2/h3-7,9,11,16,22-25H,8,10,12-15H2,1-2H3/t22-,23-,24+,25+,27+/m1/s1

InChIKey

CRJBVQYNQZNAOQ-RYIFMDQWSA-N

Smiles

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