(1R,4As,9As)-1,4A-Dimethyl-1-[(1E)-4-Methyl-1,3-Pentadien-1-Yl]-2,3,4,4A,9,9A-Hexahydro-1H-Xanthen-7-Ol

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Properties Simple | Detailed

Formula C21H28O2
IUPAC Name (8r,8as,10as)-8,10a-dimethyl-8-[(1e)-4-methylpenta-1,3-dienyl]-6,7,8a,9-tetrahydro-5h-xanthen-2-ol
Molecular Mass 312.446 g·mol−1
Heat of Formation -350.6 ± 16.7 kJ·mol−1
Dipole Moment 4.55 ± 1.08 D
Volume 407.47 Å 3
Surface Area 346.23 Å 2
HOMO Energy -8.27 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
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InChIKey YBIYFWSHKKSQQA-NDFCPFBDSA-N
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