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Substance Name: 2,6-Dibromospirost-4-ene-3-one
RN: 117572-30-2
InChIKey: DBLMLRCDNYKIBP-UXDLZFPYSA-N

Molecular Formula

  • C27-H38-Br2-O3

Molecular Weight

  • 570.4022
 
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Names and Synonyms

Name of Substance

  • 2,6-Dibromospirost-4-ene-3-one

Synonyms

  • 2,6-Dbseo
  • 2,6-Dibromospirost-4-en-3-one (2alpha,6beta,25R)-

Systematic Name

  • Spirost-4-en-3-one, 2,6-dibromo-, (2alpha,6beta,25R)-

Registry Numbers

CAS Registry Number

  • 117572-30-2

System Generated Number

  • 0117572302

Structure Descriptors

InChI

1S/C27H38Br2O3/c1-14-5-8-27(31-13-14)15(2)24-23(32-27)11-18-16-9-20(28)19-10-22(30)21(29)12-26(19,4)17(16)6-7-25(18,24)3/h10,14-18,20-21,23-24H,5-9,11-13H2,1-4H3/t14-,15+,16-,17+,18+,20-,21-,23+,24+,25+,26-,27-/m1/s1

InChIKey

DBLMLRCDNYKIBP-UXDLZFPYSA-N

Smiles

C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4C[C@H](C6=CC(=O)[C@@H](C[C@]56C)Br)Br)C)C)OC1