(2As,4As,5S,7As,7Br)-7A-(Hydroxymethyl)-2,2,4A-Trimethyl-1,2,3,4,4A,5,7A,7B-Octahydro-2Ah-Cyclobuta[E]Indene-2A,5-Diol

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Properties Simple | Detailed

Formula C15H24O3
IUPAC Name (2as,4as,5s,7as,7br)-7a-(hydroxymethyl)-2,2,4a-trimethyl-3,4,5,7b-tetrahydro-1h-cyclobuta[e]indene-2a,5-diol
Molecular Mass 252.349 g·mol−1
Heat of Formation -515.4 ± 16.7 kJ·mol−1
Dipole Moment 5.26 ± 1.08 D
Volume 320.54 Å 3
Surface Area 257.46 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy 1.05 ± eV
Point Group Symmetry C1
Synonyms
  • 2ah-cyclobut(e)indene-2a,5-diol, 1,2,3,4,4a,5,7a,7b-octahydro-7a-(hydroxymethyl)-2,2,4a-trimethyl-, (2as-(2aalpha,4aalpha,5alpha,7aalpha,7bbeta))-
  • m 167906
  • m167906
  • punctaporonin d
CAS Number(s)
  • 102734-12-3
InChIKey ZVIVLLOEKSFGMG-VEESAYDSSA-N
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