Herbarumin Ii

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Formula C12H20O5
IUPAC Name (2r,3s,4s,5e,9r)-3,4,9-trihydroxy-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one
Molecular Mass 244.284 g·mol−1
Heat of Formation -994.6 ± 16.7 kJ·mol−1
Dipole Moment 2.53 ± 1.08 D
Volume 295.75 Å 3
Surface Area 254.67 Å 2
HOMO Energy -10.00 ± 0.55 eV
LUMO Energy 0.15 ± eV
Point Group Symmetry C1
Synonyms
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InChIKey KQJGPGHQDDZVHJ-ZFOCBLLKSA-N
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Elements H C O