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Substance Name: 17alpha-Hydroxy-2-(hydroxymethylene)pregn-4-en-20-yn-3-one
RN: 2787-02-2
InChIKey: FYEOMZSZJFOTGQ-GXWGVVPNSA-N

Molecular Formula

  • C22-H28-O3

Molecular Weight

  • 340.4602
 
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Names and Synonyms

Synonyms

  • EC 220-513-5
  • EINECS 220-513-5

Systematic Name

  • 17alpha-Hydroxy-2-(hydroxymethylene)pregn-4-en-20-yn-3-one

Registry Numbers

CAS Registry Number

  • 2787-02-2

System Generated Number

  • 0002787022

Structure Descriptors

InChI

1S/C22H28O3/c1-4-22(25)10-8-18-16-6-5-15-11-19(24)14(13-23)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,23,25H,5-10,12H2,2-3H3/b14-13-/t16-,17+,18+,20+,21+,22+/m1/s1

InChIKey

FYEOMZSZJFOTGQ-GXWGVVPNSA-N

Smiles

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)/C(=C\O)/C[C@]34C