6H-2-Benzopyran-5-carboxaldehyde,7,8-dihydro-7,8-dihydroxy-3,7-dimethyl-6-oxo-, (7R,8S)-
6H-2-Benzopyran-5-carboxaldehyde,7,8-dihydro-7,8-dihydroxy-3,7-dimethyl-6-oxo-, (7R,8S)- structure
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Common Name | 6H-2-Benzopyran-5-carboxaldehyde,7,8-dihydro-7,8-dihydroxy-3,7-dimethyl-6-oxo-, (7R,8S)- | ||
|---|---|---|---|---|
| CAS Number | 53043-28-0 | Molecular Weight | 236.22100 | |
| Density | 1.42g/cm3 | Boiling Point | 443ºC at 760mmHg | |
| Molecular Formula | C12H12O5 | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 175.1ºC | |
| Symbol |
GHS06, GHS08 |
Signal Word | Danger | |
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On the interplay between CH...O and OH...O interactions in determining crystal packing and molecular conformation: an experimental and theoretical charge density study of the fungal secondary metabolite austdiol (C12H12O5).
J. Phys. Chem. B 110(12) , 6405-14, (2006) The total experimental electron density rho(r), its Laplacian inverted delta(2)rho(r), the molecular dipole moment, the electrostatic potential phi(r), and the intermolecular interaction energies have been obtained from an extensive set of single-crystal X-ra... |
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The fungal metabolite austdiol.
Acta Crystallogr. C 59(Pt 4) , O199-201, (2003) The title compound, (7R,8S)-7,8-dihydroxy-3,7-dimethyl-6-oxo-7,8-dihydro-6H-isochromene-5-carbaldehyde, C(12)H(12)O(5), is a trans-vicinal diol. Of the two fused rings, which lie approximately in the same plane, the pyran ring is almost perfectly planar, whil... |
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