(3S,5R)-5-[(1E)-3-Hydroxy-2-Methyl-1-Propen-1-Yl]-3-[(1S,2R,3R,5R,6R,9S,14S,15R,18S,19S)-3-Hydroxy-2,6,14-Trimethyl-9-Phenyl-8-Oxahexacyclo[16.3.1.0~1,18~.0~2,15~.0~5,14~.0~6,11~]Docosa-11,16-Dien-19-Yl]Dihydro-2(3H)-Furanone

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Formula C38H48O5
IUPAC Name (3s,5r)-5-[(1e)-3-hydroxy-2-methyl-1-propen-1-yl]-3-[(1s,2r,3r,5r,6r,9s,14s,15r,18s,19s)-3-hydroxy-2,6,14-trimethyl-9-phenyl-8-oxahexacyclo[16.3.1.0 1,18 .0 2,15 .0 5,14 .0 6,11 ]docosa-11,16-dien-19-yl]dihydro-2(3h)-furanone
Molecular Mass 584.785 g·mol−1
Heat of Formation -717.4 ± 16.7 kJ·mol−1
Dipole Moment 4.36 ± 1.08 D
Volume 721.41 Å 3
Surface Area 552.3 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.05 ± eV
Point Group Symmetry C1
Synonyms
  • dichapetalin a
InChIKey LRJFCTOUXFAGON-NNLSLSRSSA-N
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Elements H C O