(1S,2S,12S,13R,16S)-2,4,13,16-Tetrahydroxy-12-Methyl-16-(3-Methylbutyl)-15-Oxatetracyclo[11.2.1.0~1,10~.0~3,8~]Hexadeca-3,5,7,9-Tetraene-11,14-Dione

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Formula C21H24O7
IUPAC Name (1s,2s,12s,13r,16s)-2,4,13,16-tetrahydroxy-12-methyl-16-(3-methylbutyl)-15-oxatetracyclo[11.2.1.0 1,10 .0 3,8 ]hexadeca-3,5,7,9-tetraene-11,14-dione
Molecular Mass 388.411 g·mol−1
Heat of Formation -1173.7 ± 16.7 kJ·mol−1
Dipole Moment 4.33 ± 1.08 D
Volume 429.62 Å 3
Surface Area 347.0 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
InChIKey YKZYUGMAWQCYJT-QZVGKJKXSA-N
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