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Substance Name: Estradiol-3-trimethylsilyl ether-17-heptafluorobutyrate
RN: 120623-45-2
InChIKey: SKCZEAZINGMGHC-KOVVAJLHSA-N

Molecular Formula

  • C25-H31-F7-O3-Si

Molecular Weight

  • 540.589
 
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Names and Synonyms

Name of Substance

  • Estradiol-3-trimethylsilyl ether-17-heptafluorobutyrate

Synonyms

  • E2-3-Tms-17-hfb
  • E2-Tmsehf

Systematic Name

  • Estra-1,3,5(10)-trien-17-ol, 3-((trimethylsilyl)oxy)-, heptafluorobutanoate, (17beta)-

Registry Numbers

CAS Registry Number

  • 120623-45-2

System Generated Number

  • 0120623452

Structure Descriptors

InChI

1S/C25H31F7O3Si/c1-22-12-11-17-16-8-6-15(35-36(2,3)4)13-14(16)5-7-18(17)19(22)9-10-20(22)34-21(33)23(26,27)24(28,29)25(30,31)32/h6,8,13,17-20H,5,7,9-12H2,1-4H3/t17-,18-,19+,20+,22+/m1/s1

InChIKey

SKCZEAZINGMGHC-KOVVAJLHSA-N

Smiles

c1cc2c(cc1O[Si](C)(C)C)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2OC(C(C(C(F)(F)F)(F)F)(F)F)=O