(3β,5β,7β,11β)-3-[(2-Deoxy-β-D-Arabino-Hexopyranosyl)Oxy]-11,14-Dihydroxy-12-Oxo-7,8-Epoxycard-20(22)-Enolide

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Properties Simple | Detailed

Formula C29H40O11
IUPAC Name (3beta,5beta,7alpha,8xi,11beta,14xi)-3-[(2-deoxy-α-d-arabino-hexopyranosyl)oxy]-11,14-dihydroxy-12-oxo-7,8-epoxycard-20(22)-enolide
Molecular Mass 564.621 g·mol−1
Heat of Formation -1868.5 ± 16.7 kJ·mol−1
Dipole Moment 11.46 ± 1.08 D
Volume 636.03 Å 3
Surface Area 479.03 Å 2
HOMO Energy -10.21 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
InChIKey NRBYBABUHKEQNM-SILDGFPYSA-N
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