(1S,2R,6R,7R,8S,9R,12S,13S)-12-Ethoxy-6-Isopropyl-9,13-Dimethyl-3-Methylene-15-Oxatricyclo[6.6.1.0~2,7~]Pentadecane-9,13-Diol

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Formula C22H38O4
IUPAC Name (1s,2r,6r,7r,8s,9r,12s,13s)-12-ethoxy-6-isopropyl-9,13-dimethyl-3-methylene-15-oxatricyclo[6.6.1.0 2,7 ]pentadecane-9,13-diol
Molecular Mass 366.535 g·mol−1
Heat of Formation -874.8 ± 16.7 kJ·mol−1
Dipole Moment 1.29 ± 1.08 D
Volume 480.32 Å 3
Surface Area 358.02 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy 1.10 ± eV
Point Group Symmetry C1
Synonyms
  • patagonicol
CAS Number(s)
  • 153415-47-5
InChIKey USQVENVWDCVTMS-GDRPICJLSA-N
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