Withanolide A

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Formula C27H18O6
IUPAC Name (6s,7r,10s,14e)-14-ethynyl-15-(2-hydroxyethynyl)-4,11-dimethylene-1,8-dioxatrispiro[5.0.16.07.1.810]octadec-14-en-12,16-diyn-2-one; penta-1,4-diyne-1,5-diol
Molecular Mass 438.428 g·mol−1
Heat of Formation -1017.8 ± 16.7 kJ·mol−1
Dipole Moment 2.99 ± 1.08 D
Volume 560.92 Å 3
Surface Area 428.18 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy 2.93 ± eV
Point Group Symmetry C1
InChIKey DXWHOKCXBGLTMQ-SFQAJKIESA-N
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Elements H C O