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Substance Name: Rotalin B
RN: 119979-80-5
InChIKey: WJKFHIRVWBSMNS-BBEBHDDQSA-N

Molecular Formula

  • C20-H33-Br-O2

Molecular Weight

  • 385.3827
 
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Names and Synonyms

Results Name

  • Rotalin B

Synonym

  • Rotalin B

Systematic Name

  • 2H-Oxireno(e)(1)benzoxecin, 8-bromo-4-ethenyldodecahydro-4,5a,9,9,11a- pentamethyl-

Registry Numbers

CAS Registry Number

  • 119979-80-5

System Generated Number

  • 0119979805

Structure Descriptors

InChI

1S/C20H33BrO2/c1-7-18(4)11-10-16-20(6,22-16)12-8-14-17(2,3)15(21)9-13-19(14,5)23-18/h7,14-16H,1,8-13H2,2-6H3/t14-,15-,16-,18?,19-,20-/m0/s1

InChIKey

WJKFHIRVWBSMNS-BBEBHDDQSA-N

Smiles

C[C@]12CC[C@@H](C([C@@H]1CC[C@]3([C@@H](O3)CCC(O2)(C)C=C)C)(C)C)Br