(4Ar,4Bs,6As,7S,9As,9Br,11S,11As)-11-Bromo-7-Hydroxy-4A,6A,7-Trimethyltetradecahydroindeno[5,4-F]Chromen-2(3H)-One

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Properties Simple | Detailed

Formula C19H29BrO3
IUPAC Name (1s,3as,3br,5s,5as,9ar,9bs,11as)-5-bromo-1-hydroxy-1,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]chromen-7-one
Molecular Mass 385.336 g·mol−1
Heat of Formation -736.4 ± 16.7 kJ·mol−1
Dipole Moment 6.66 ± 1.08 D
Volume 418.14 Å 3
Surface Area 329.0 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy 0.47 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3as,3br,5s,5as,9ar,9bs,11as)-5-bromo-1-hydroxy-1,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[6,7-f]chromen-7-one
  • 4-oxa-5-alpha-androstan-3-one, 6-alpha-bromo-17-beta-hydroxy-17-methyl-
  • 4-oxaandrostan-3-one, 6-bromo-17-hydroxy-17-methyl-, (5-alpha,6-alpha,17-beta)- (9ci)
  • 6-alpha-bromo-17-beta-hydroxy-17-alpha-methyl-4-oxa-5-alpha-androstan-3-one
  • 6-alpha-bromo-17-beta-methyl-4-oxa-5-alpha-androstan-3-one
  • 6alpha-bromo-17beta-hydroxy-17alpha-methyl-4-oxa-5alpha-androstan-3-one
  • 6alpha-bromo-17beta-methyl-4-oxa-5alpha-androstan-3-one
  • bomt
  • ro 7-2340
CAS Number(s)
  • 24543-59-7
InChIKey ZUIGZKIOHUNINA-LWPUPYOYSA-N
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