(1S,2R,6R,7R,8R,9R,12S,13R,14S)-12,13,14-Trihydroxy-6-Isopropyl-9,13-Dimethyl-3-Methylene-15-Oxatricyclo[6.6.1.0~2,7~]Pentadec-9-Yl Butyrate

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Formula C24H40O6
IUPAC Name (1s,2r,6r,7r,8r,9r,12s,13r,14s)-12,13,14-trihydroxy-6-isopropyl-9,13-dimethyl-3-methylene-15-oxatricyclo[6.6.1.0 2,7 ]pentadec-9-yl butyrate
Molecular Mass 424.571 g·mol−1
Heat of Formation -1359.2 ± 16.7 kJ·mol−1
Dipole Moment 2.29 ± 1.08 D
Volume 536.93 Å 3
Surface Area 392.48 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy 1.05 ± eV
Point Group Symmetry C1
InChIKey PQYFROFSCDOVOT-NTWQZCSUSA-N
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