Dankastatin B

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Properties Simple | Detailed

Formula C23H33Cl2NO4
IUPAC Name (2e,4e,6r)-n-[(3s,4as,8r,8ar)-6,8-dichloro-4a-hydroxy-7-oxo-3,4,8,8a-tetrahydro-2h-chromen-3-yl]-4,6-dimethyl-dodeca-2,4-dienamide
Molecular Mass 458.418 g·mol−1
Heat of Formation -797.8 ± 16.7 kJ·mol−1
Dipole Moment 9.19 ± 1.08 D
Volume 554.71 Å 3
Surface Area 486.92 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
InChIKey FOYHOCBUHQKEDQ-HUWMOLIRSA-N
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Elements H C N O Cl