Puupehanol

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Properties Simple | Detailed

Formula C21H30O4
IUPAC Name (4as,6as,10r,11r,12ar,12bs)-10,11-dihydroxy-4,4,6a,12b-tetramethyl-2,3,4a,5,6,10,11,12a-octahydro-1h-benzo[a]xanthen-9-one
Molecular Mass 346.461 g·mol−1
Heat of Formation -776.5 ± 16.7 kJ·mol−1
Dipole Moment 7.92 ± 1.08 D
Volume 426.95 Å 3
Surface Area 330.27 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
InChIKey ATEPQLOVXUBFRA-JAYAMIOFSA-N
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Elements H C O