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Substance Name: beta-Estradiol 3-acetylsalicylate
RN: 111111-98-9
InChIKey: KNJUTXJFANOVGR-HXVSAZQXSA-N

Molecular Formula

  • C27-H30-O5

Molecular Weight

  • 434.529
 
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Names and Synonyms

Results Name

  • beta-Estradiol 3-acetylsalicylate

Synonyms

  • beta-Estradiol 3-acetylsalicylate
  • beta-Estradiol-3-acetylsalicylate

Systematic Name

  • Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-(2-(acetyloxy)benzoate)

Registry Numbers

CAS Registry Number

  • 111111-98-9

System Generated Number

  • 0111111989

Structure Descriptors

InChI

1S/C27H30O5/c1-16(28)31-24-6-4-3-5-22(24)26(30)32-18-8-10-19-17(15-18)7-9-21-20(19)13-14-27(2)23(21)11-12-25(27)29/h3-6,8,10,15,20-21,23,25,29H,7,9,11-14H2,1-2H3/t20-,21-,23+,25+,27+/m1/s1

InChIKey

KNJUTXJFANOVGR-HXVSAZQXSA-N

Smiles

c1(ccc2[C@H]3CC[C@@]4([C@H](CC[C@@H]4[C@@H]3CCc2c1)O)C)OC(c1c(cccc1)OC(=O)C)=O