(2R,3Ar,4As,8Ar,8Br)-3A-(Hydroxymethyl)-6,8A,8B-Trimethyl-2,3,3A,4A,7,8,8A,8B-Octahydro-1H-Benzo[B]Cyclopenta[D]Furan-2-Ol

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Properties Simple | Detailed

Formula C15H24O3
IUPAC Name (2r,3ar,4as,8ar,8br)-3a-(hydroxymethyl)-6,8a,8b-trimethyl-1,2,3,4a,7,8-hexahydrocyclopenta[b]benzofuran-2-ol
Molecular Mass 252.349 g·mol−1
Heat of Formation -625.6 ± 16.7 kJ·mol−1
Dipole Moment 4.85 ± 1.08 D
Volume 318.4 Å 3
Surface Area 261.77 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy 1.00 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3ar,4as,8ar,8br)-3a-(hydroxymethyl)-6,8a,8b-trimethyl-1,2,3,4a,7,8-hexahydrocyclopenta[b][1]benzoxol-2-ol
  • (2r,3ar,4as,8ar,8br)-3a-(hydroxymethyl)-6,8a,8b-trimethyl-1,2,3,4a,7,8-hexahydrocyclopenta[b]benzofuran-2-ol
  • (2r,3ar,4as,8ar,8br)-6,8a,8b-trimethyl-3a-methylol-1,2,3,4a,7,8-hexahydrocyclopenta[b]benzofuran-2-ol
  • 3ah-cyclopenta(b)benzofuran-3a-methanol, 1,2,3,4a,7,8,8a,8b-octahydro-2-hydroxy-6,8a,8b-trimethyl-, (2r-(2alpha,3abeta,4abeta,8aalpha,8bbeta))-
  • 3alpha,13-dihydroxy-apotrichothec-9-ene
  • apotrichodiol
CAS Number(s)
  • 104148-45-0
InChIKey LRGJZQCUGTZKGE-FQKPHLNHSA-N
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