(1R,6S)-1-(Benzyloxy)-8,11,11-Trimethyl-6-(Phenylsulfanyl)Bicyclo[5.3.1]Undec-7-En-3-One

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Properties Simple | Detailed

Formula C27H32O2S
IUPAC Name (1r,6s)-1-benzyloxy-8,11,11-trimethyl-6-phenylsulfanyl-bicyclo[5.3.1]undec-7-en-3-one
Molecular Mass 420.607 g·mol−1
Heat of Formation -197.4 ± 16.7 kJ·mol−1
Dipole Moment 1.82 ± 1.08 D
Volume 520.78 Å 3
Surface Area 399.13 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,6s)-1-(benzyloxy)-8,11,11-trimethyl-6-(phenylthio)bicyclo[5.3.1]undec-7-en-3-one
  • (1r,6s)-8,11,11-trimethyl-1-(phenylmethoxy)-6-(phenylthio)-3-bicyclo[5.3.1]undec-7-enone
  • (1r,6s)-8,11,11-trimethyl-1-(phenylmethoxy)-6-phenylsulfanyl-bicyclo[5.3.1]undec-7-en-3-one
  • (1r,6s)-8,11,11-trimethyl-1-(phenylmethoxy)-6-phenylsulfanylbicyclo[5.3.1]undec-7-en-3-one
  • 1-benzyloxy-8,11,11-trimethyl-6-phenylthiobicyclo(5.3.1)undec-7-en-3-one
  • 1-btptbu
  • bicyclo(5.3.1)undec-7-en-3-one, 8.11.11-trimethyl-1-(phenylmethoxy)-6-(phenylthio)-, (1r*,6s*)-(+-)-
CAS Number(s)
  • 133536-28-4
InChIKey BDGSMSWNOIYMSW-RPLLCQBOSA-N
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