(1R,2R,6S,7S,8R,10S,11S,12R,14S,16R,18R)-6,7-Dihydroxy-8-(Hydroxymethyl)-16-Isopropenyl-4,18-Dimethyl-14-[(1E,3E)-1,3-Tridecadien-1-Yl]-9,13,15,19-Tetraoxahexacyclo[12.4.1.0~1,11~.0~2,6~.0~8,10~.0~12,16~]Nonadec-3-En-5-One

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Formula C34H48O8
IUPAC Name (1r,2r,6s,7s,8r,10s,11s,12r,14s,16r,18r)-6,7-dihydroxy-8-(hydroxymethyl)-16-isopropenyl-4,18-dimethyl-14-[(1e,3e)-1,3-tridecadien-1-yl]-9,13,15,19-tetraoxahexacyclo[12.4.1.0 1,11 .0 2,6 .0 8,10 .0 12,16 ]nonadec-3-en-5-one
Molecular Mass 584.740 g·mol−1
Heat of Formation -1277.2 ± 16.7 kJ·mol−1
Dipole Moment 3.84 ± 1.08 D
Volume 716.6 Å 3
Surface Area 590.59 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
CAS Number(s)
  • 12614-66-3
InChIKey VWGORPXMXKBHER-PAAMMUKASA-N
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