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Substance Name: 11beta-Methyl-17alpha-ethinylestradiol
RN: 13655-95-3
InChIKey: KGJRLCXIOBYRKF-QDOXYTLXSA-N

Classification Codes

  • Hormone
  • Tumor Data

Molecular Formula

  • C21-H26-O2

Molecular Weight

  • 310.434
 
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Names and Synonyms

Results Name

  • 11beta-Methyl-17alpha-ethinylestradiol

Synonyms

  • 11-beta-Methyl-17-alpha-ethinylestradiol
  • 11-beta-Methyl-19-nor-17-alpha-pregna-1,3,5(10)-trien-20-yne-3,17-diol

Systematic Name

  • 19-Nor-17-alpha-pregna-1,3,5(10)-trien-20-yne-3,17-diol, 11-beta-methyl-

Registry Numbers

CAS Registry Number

  • 13655-95-3

System Generated Number

  • 0013655953

Structure Descriptors

InChI

1S/C21H26O2/c1-4-21(23)10-9-18-17-7-5-14-11-15(22)6-8-16(14)19(17)13(2)12-20(18,21)3/h1,6,8,11,13,17-19,22-23H,5,7,9-10,12H2,2-3H3/t13-,17-,18-,19+,20-,21-/m0/s1

InChIKey

KGJRLCXIOBYRKF-QDOXYTLXSA-N

Smiles

c1c(cc2CC[C@@H]3[C@@H](c2c1)[C@H](C[C@@]1([C@H]3CC[C@@]1(O)C#C)C)C)O