(2Z,4E)-6-[(5S,6S,9Z,10R)-1,6-Dihydroxy-10-(3-Hydroxypropyl)-6-Methyl-9-(1-Oxopropan-2-Ylidene)Spiro[4.5]Dec-2-Yl]-2-(4-Methylpent-3-En-1-Yl)Hepta-2,4,6-Trien-1-Yl Acetate

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Properties Simple | Detailed

Formula C32H48O6
IUPAC Name [(2z,4e)-6-[(3s,4r,5s,6r,7z,10s)-4,10-dihydroxy-6-(3-hydroxypropyl)-10-methyl-7-(1-methyl-2-oxo-ethylidene)spiro[4.5]decan-3-yl]-2-(4-methylpent-3-enyl)hepta-2,4,6-trienyl] acetate
Molecular Mass 528.720 g·mol−1
Heat of Formation -1142.5 ± 16.7 kJ·mol−1
Dipole Moment 6.37 ± 1.08 D
Volume 696.77 Å 3
Surface Area 501.62 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 3.41 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-(6r,10s,11s,14s,26r)-29-acetoxy-26-hydroxy-15,28
  • 16,17-tetra-dehydro-14,15-dihydro-spiroiridal
  • [(2z,4e)-6-[(1r,2s,5s,6s,9z,10r)-1,6-dihydroxy-10-(3-hydroxypropyl)-6-methyl-9-(1-methyl-2-oxo-ethylidene)spiro[4.5]decan-2-yl]-2-(4-methylpent-3-enyl)hepta-2,4,6-trienyl] acetate
  • [(2z,4e)-6-[(1r,2s,5s,6s,9z,10r)-1,6-dihydroxy-10-(3-hydroxypropyl)-6-methyl-9-(1-oxopropan-2-ylidene)spiro[4.5]decan-2-yl]-2-(4-methylpent-3-enyl)hepta-2,4,6-trienyl] acetate
  • [(2z,4e)-6-[(1r,2s,5s,6s,9z,10r)-1,6-dihydroxy-10-(3-hydroxypropyl)-6-methyl-9-(1-oxopropan-2-ylidene)spiro[4.5]decan-2-yl]-2-(4-methylpent-3-enyl)hepta-2,4,6-trienyl] ethanoate
  • acetic acid [(2z,4e)-6-[(1r,2s,5s,6s,9z,10r)-1,6-dihydroxy-10-(3-hydroxypropyl)-6-methyl-9-(1-methyl-2-oxoethylidene)-2-spiro[4.5]decanyl]-2-(4-methylpent-3-enyl)hepta-2,4,6-trienyl] ester
  • acetic acid [(2z,4e)-6-[(1r,2s,5s,6s,9z,10r)-1,6-dihydroxy-10-(3-hydroxypropyl)-9-(2-keto-1-methyl-ethylidene)-6-methyl-spiro[4.5]decan-2-yl]-2-(4-methylpent-3-enyl)hepta-2,4,6-trienyl] ester
InChIKey KPFIRSWIEJGVNZ-DDKMFYJYSA-N
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