Cymobarbatol

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Properties Simple | Detailed

Formula C16H20Br2O2
IUPAC Name (7s,8as,10ar)-3,7-dibromo-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5h-xanthen-2-ol
Molecular Mass 404.137 g·mol−1
Heat of Formation -386.3 ± 16.7 kJ·mol−1
Dipole Moment 3.47 ± 1.08 D
Volume 371.47 Å 3
Surface Area 302.37 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • (7s,8as,10ar)-3,7-dibromo-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5h-xanthen-2-ol
  • 1h-xanthen-7-ol, 2,6-dibromo-2,3,4,4a,9,9a-hexahydro-1,1,4a-trimethyl-, (2s-(2alpha,4abeta,9abeta))-
  • 4-isocymobarbatol
CAS Number(s)
  • 124962-11-4
InChIKey ALTFOIOEOXFNOO-OFQRWUPVSA-N
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Elements H C O Br