(4Ar,6As,12As,12Br)-4,4,6A,12B-Tetramethyl-1,3,4,4A,5,6,6A,12,12A,12B-Decahydro-2H-Benzo[A]Xanthen-10-Ol

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Formula C21H30O2
IUPAC Name (4ar,6as,12as,12br)-4,4,6a,12b-tetramethyl-1,2,3,4a,5,6,12,12a-octahydrobenzo[a]xanthen-10-ol
Molecular Mass 314.462 g·mol−1
Heat of Formation -466.8 ± 16.7 kJ·mol−1
Dipole Moment 3.73 ± 1.08 D
Volume 401.59 Å 3
Surface Area 321.52 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy 0.18 ± eV
Point Group Symmetry C1
Synonyms
  • (4ar,6as,12as,12br)-4,4,6a,12b-tetramethyl-1,2,3,4a,5,6,12,12a-octahydronaphtho[7,8-b]chromen-10-ol
  • chromazonarol
CAS Number(s)
  • 57291-88-0
InChIKey ZKEMVUBEPDXJPL-JYRKZWEQSA-N
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