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Substance Name: 12beta-Bromoacetoxy-4-estrene-3,17-dione
RN: 64890-82-0
InChIKey: JRLXJPBMRVSJFG-NMXKSOGJSA-N

Note

  • Synthetic substrate for estradiol-17-dehydrogenase.

Molecular Weight

  • 409.318
 
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Names and Synonyms

Name of Substance

  • 12beta-Bromoacetoxy-4-estrene-3,17-dione

Systematic Name

  • Estr-4-ene-3,17-dione, 12-((bromoacetyl)oxy)-, (12beta)-

Registry Numbers

CAS Registry Number

  • 64890-82-0

System Generated Number

  • 0064890820

Structure Descriptors

InChI

1S/C20H25BrO4/c1-20-16(6-7-17(20)23)14-4-2-11-8-12(22)3-5-13(11)15(14)9-18(20)25-19(24)10-21/h8,13-16,18H,2-7,9-10H2,1H3/t13-,14+,15+,16-,18+,20-/m0/s1

InChIKey

JRLXJPBMRVSJFG-NMXKSOGJSA-N

Smiles

C1(CC[C@@H]2[C@H]3C[C@H]([C@@]4(C(CC[C@@H]4[C@@H]3CCC2=C1)=O)C)OC(=O)CBr)=O