(1R,2R,5R,6R,10R,13S,15R)-5-[(2R,3E,5R)-5,6-Dimethyl-3-Hepten-2-Yl]-6,10-Dimethyl-16,17-Dioxapentacyclo[13.2.2.0~1,9~.0~2,6~.0~10,15~]Nonadeca-8,18-Dien-13-Ol

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Properties Simple | Detailed

Formula C28H42O3
IUPAC Name (1r,2r,5r,6r,10r,13s,15r)-6,10-dimethyl-5-[(e,1r,4r)-1,4,5-trimethylhex-2-enyl]-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-8,18-dien-13-ol
Molecular Mass 426.631 g·mol−1
Heat of Formation -368.5 ± 16.7 kJ·mol−1
Dipole Moment 2.95 ± 1.08 D
Volume 558.02 Å 3
Surface Area 428.5 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy 0.48 ± eV
Point Group Symmetry C1
Synonyms
  • 5,8-edeto
  • 5,8-epidioxyergosta-6,9(11),22-trien-3-ol
  • ergosta-6,9(11),22-trien-3-ol, 5,8-epidioxy-, (3beta,5alpha,8alpha,22e)-
CAS Number(s)
  • 86363-50-0
InChIKey FWPYIYVSYQRISA-ZJBQAQMGSA-N
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