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Substance Name: 16alpha-Cyanoestradiol 3-methyl ether
RN: 69381-96-0
InChIKey: PLONGUDFRUKIQQ-PJKJDQBBSA-N

Molecular Weight

  • 311.422
 
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Names and Synonyms

Name of Substance

  • 16alpha-Cyanoestradiol 3-methyl ether

Systematic Name

  • Estra-1,3,5(10)-triene-16-carbonitrile, 17-hydroxy-3-methoxy-, (16alpha,17beta)-

Registry Numbers

CAS Registry Number

  • 69381-96-0

System Generated Number

  • 0069381960

Structure Descriptors

InChI

1S/C20H25NO2/c1-20-8-7-16-15-6-4-14(23-2)9-12(15)3-5-17(16)18(20)10-13(11-21)19(20)22/h4,6,9,13,16-19,22H,3,5,7-8,10H2,1-2H3/t13-,16+,17+,18-,19-,20-/m0/s1

InChIKey

PLONGUDFRUKIQQ-PJKJDQBBSA-N

Smiles

c1(ccc2[C@H]3CC[C@@]4([C@H]([C@@H](C[C@@H]4[C@@H]3CCc2c1)C#N)O)C)OC