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Substance Name: 3-Deoxonorgestrel
RN: 124478-41-7
InChIKey: KSWAGZCKEUGENL-UCMXIMDNSA-N

Molecular Weight

  • 662.9928
 
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Names and Synonyms

Name of Substance

  • 3-Deoxonorgestrel

Synonym

  • 17-Ethynyl-13-ethyl-4-gonene-17-ol

Registry Numbers

CAS Registry Number

  • 124478-41-7

System Generated Number

  • 0124478417

Structure Descriptors

InChI

1S/C25H32O2.C21H30O/c1-3-25(26)15-13-23-22-10-8-17-16-19(27-18-6-4-5-7-18)9-11-20(17)21(22)12-14-24(23,25)2;1-3-20-13-11-17-16-8-6-5-7-15(16)9-10-18(17)19(20)12-14-21(20,22)4-2/h1,9,11,16,18,21-23,26H,4-8,10,12-15H2,2H3;2,7,16-19,22H,3,5-6,8-14H2,1H3/t21-,22-,23+,24+,25+;16-,17+,18+,19-,20-,21-/m10/s1

InChIKey

KSWAGZCKEUGENL-UCMXIMDNSA-N

Smiles

CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CCCC[C@H]34.C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)OC5CCCC5