52589-12-5

Name diginatin
CAS 52589-12-5
EINECS(EC#) 258-028-6
Molecular Formula C41H64O15
Molecular Weight 796.95
MOL File 52589-12-5.mol
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Chemical Properties

Melting point  251-253°
alpha  D20 +20.5 ±2°; 20546 +26.3 ±2° (c = 0.6 in methanol)
Boiling point  961.6±65.0 °C(Predicted)
density  1.39±0.1 g/cm3(Predicted)
pka 13.50±0.70(Predicted)
InChIKey AASCKLXRKILUGL-UHFFFAOYSA-N
SMILES OC12CC(O)C(C3=CC(=O)OC3)C1(C(CC1C3(CCC(OC4OC(C)C(OC5OC(C)C(OC6OC(C)C(O)C(O)C6)C(O)C5)C(O)C4)CC3CCC21)C)O)C

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