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Substance Name: 5alpha-Bromo-6beta-chloro-3-oxopregnane-21,17alpha-carbolactone
RN: 34684-82-7
InChIKey: XPBRVIWXBBCULT-JTIMCTONSA-N

Molecular Formula

  • C22-H30-Br-Cl-O3

Molecular Weight

  • 457.833
 
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Names and Synonyms

Synonym

  • EINECS 252-146-1

Systematic Name

  • 5alpha-Bromo-6beta-chloro-3-oxopregnane-21,17alpha-carbolactone

Registry Numbers

CAS Registry Number

  • 34684-82-7

System Generated Number

  • 0034684827

Structure Descriptors

InChI

1S/C22H30BrClO3/c1-19-8-4-16-14(15(19)5-9-21(19)10-6-18(26)27-21)11-17(24)22(23)12-13(25)3-7-20(16,22)2/h14-17H,3-12H2,1-2H3/t14-,15-,16-,17+,19-,20+,21-,22-/m0/s1

InChIKey

XPBRVIWXBBCULT-JTIMCTONSA-N

Smiles

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]24CCC(=O)O4)C[C@H]([C@@]5([C@@]3(CCC(=O)C5)C)Br)Cl