Roxburghiadiol B

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Properties Simple | Detailed

Formula C29H48O2
IUPAC Name (1s,3r,6s,8s,9s,11s,12s,15r,16r)-15-[(1r)-1,5-dimethyl-4-methylene-hexyl]-12,16-dimethyl-pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,9-diol
Molecular Mass 428.690 g·mol−1
Heat of Formation -579.9 ± 16.7 kJ·mol−1
Dipole Moment 3.25 ± 1.08 D
Volume 588.1 Å 3
Surface Area 446.72 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy 1.25 ± eV
Point Group Symmetry C1
Synonyms
  • 4-bisnormethyl-24-methylenecycloarta-3,6-diol
  • 9,19-cycloergost-24(28)-ene-3,6-diol, 14-methyl-, (3beta,5alpha,6alpha)-
  • roxburghiadiol a
CAS Number(s)
  • 103629-94-3
InChIKey FLFAKBJFVNSCHC-HFOFPBCXSA-N
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Elements H C O