(1R,3R,7E,17E)-17-(6-Hydroxy-6-Methyl-2-Heptanylidene)-2-Methylene-9,10-Secoestra-5,7-Diene-1,3-Diol

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Properties Simple | Detailed

Formula C27H42O3
IUPAC Name (1r,3r)-5-[(2e)-2-[(1e,3as,7as)-1-(5-hydroxy-1,5-dimethyl-hexylidene)-7a-methyl-2,3,3a,5,6,7-hexahydroinden-4-ylidene]ethylidene]-2-methylene-cyclohexane-1,3-diol
Molecular Mass 414.621 g·mol−1
Heat of Formation -668.0 ± 16.7 kJ·mol−1
Dipole Moment 4.19 ± 1.08 D
Volume 565.21 Å 3
Surface Area 461.24 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
Synonyms
  • 5
  • d
  • v
InChIKey PCPYFQNISYYIPU-QEWVMUDDSA-N
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