(5S,6S,7S)-13,14-Dimethoxy-6,7-Dimethyl-5,6,7,8-Tetrahydro[1,3]Benzodioxolo[5',6':3,4]Cycloocta[1,2-F][1,3]Benzodioxol-5-Yl Benzoate

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Properties Simple | Detailed

Formula C29H36O8
IUPAC Name ethane; hydron; (1e,6z)-1-[4-(hydroxymethoxy)-2-[3-(hydroxymethoxy)-2-methoxy-benzene-4-id-1-yl]-3-methoxy-benzene-5-id-1-yl]deca-1,6,9-trien-4-yn-1-ol; methanone
Molecular Mass 516.623 g·mol−1
Heat of Formation 432.8 ± 16.7 kJ·mol−1
Dipole Moment 3.08 ± 1.08 D
Volume 644.86 Å 3
Surface Area 475.47 Å 2
HOMO Energy -7.86 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
InChIKey MBGKPRSARHEFAG-YPCHGGDPSA-N
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