Ouabain

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Formula C29H14O12
IUPAC Name (3z,8z)-3-[2,6-dioxo-5-(oxomethylene)cyclohex-3-en-1-ylidene]-4-ethynyl-8-(3-hydroxyprop-2-ynyl)bicyclo[7.1.0]dec-8-en-6-yne-2,5-dione; formaldehyde; 6-methylenetetrahydropyran-2,3,4,5-tetrone
Molecular Mass 554.414 g·mol−1
Heat of Formation 1281.6 ± 16.7 kJ·mol−1
Dipole Moment 7.69 ± 1.08 D
Volume 581.53 Å 3
Surface Area 456.11 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy -2.24 ± eV
Point Group Symmetry C1
InChIKey LPMXVESGRSUGHW-OMADBVKKSA-N
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Elements C O