(3E,6R)-9-[(2S,3R,6E)-3-Hydroxy-6-(2-Hydroxyethylidene)-2-Methyl-2-Oxepanyl]-2,3,6-Trimethyl-3-Nonen-5-One

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Properties Simple | Detailed

Formula C21H36O4
IUPAC Name (e,6r)-9-[(2r,3r,6e)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyl-oxepan-2-yl]-2,3,6-trimethyl-non-3-en-5-one
Molecular Mass 352.508 g·mol−1
Heat of Formation -900.9 ± 16.7 kJ·mol−1
Dipole Moment 1.94 ± 1.08 D
Volume 475.72 Å 3
Surface Area 375.0 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy 0.24 ± eV
Point Group Symmetry C1
InChIKey CFWFJIRDZVFKJB-RNLZTSTOSA-N
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