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Substance Name: Pregnenolone 16-acetonitrile
RN: 102812-95-3
InChIKey: GMWISVUOUTUEHN-WISGCMSASA-N

Molecular Formula

  • C23-H33-N-O2

Molecular Weight

  • 355.519
 
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Names and Synonyms

Name of Substance

  • Pregnenolone 16-acetonitrile

Synonyms

  • PGAAN
  • Pregnenolone 16alpha-acetonitrile

Systematic Name

  • Pregn-5-ene-16-acetonitrile, 3-hydroxy-20-oxo-, (3beta,16alpha)-

Registry Numbers

CAS Registry Number

  • 102812-95-3

System Generated Number

  • 0102812953

Structure Descriptors

InChI

1S/C23H33NO2/c1-14(25)21-15(8-11-24)12-20-18-5-4-16-13-17(26)6-9-22(16,2)19(18)7-10-23(20,21)3/h4,15,17-21,26H,5-10,12-13H2,1-3H3/t15-,17+,18-,19+,20+,21+,22+,23+/m1/s1

InChIKey

GMWISVUOUTUEHN-WISGCMSASA-N

Smiles

C1[C@@H](CC2=CC[C@H]3[C@@H]4C[C@H]([C@@H](C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C1)C)CC#N)O