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Substance Name: 12-Oxo-9(11)-dehydroestradiol
RN: 16143-51-4
InChIKey: UFZJCFGLLBQULK-VKZRIFJHSA-N

Molecular Formula

  • C18-H20-O3

Molecular Weight

  • 284.353
 
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Names and Synonyms

Name of Substance

  • 12-Oxo-9(11)-dehydroestradiol

Synonym

  • 12-Oxo-E2

Systematic Name

  • Estra-1,3,5(10),9(11)-tetraen-12-one, 3,17-dihydroxy-, (17beta)-

Registry Numbers

CAS Registry Number

  • 16143-51-4

System Generated Number

  • 0016143514

Structure Descriptors

InChI

1S/C18H20O3/c1-18-15(6-7-16(18)20)13-4-2-10-8-11(19)3-5-12(10)14(13)9-17(18)21/h3,5,8-9,13,15-16,19-20H,2,4,6-7H2,1H3/t13-,15+,16+,18+/m1/s1

InChIKey

UFZJCFGLLBQULK-VKZRIFJHSA-N

Smiles

c1c(cc2CC[C@H]3[C@H]4[C@@](C(C=C3c2c1)=O)([C@H](CC4)O)C)O