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52949-83-4

Name Ajugol
CAS 52949-83-4
Molecular Formula C15H24O9
MDL Number MFCD28902296
Molecular Weight 348.35
MOL File 52949-83-4.mol
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Chemical Properties

Boiling point  617.9±55.0 °C(Predicted)
density  1.57
storage temp.  Store at -20°C
solubility  DMSO : ≥ 3.7 mg/mL (10.62 mM)
form  Solid
pka 12.80±0.70(Predicted)
color  White to off-white
InChI InChI=1/C15H24O9/c1-15(21)4-7(17)6-2-3-22-13(9(6)15)24-14-12(20)11(19)10(18)8(5-16)23-14/h2-3,6-14,16-21H,4-5H2,1H3/t6-,7+,8+,9+,10+,11-,12+,13-,14-,15-/s3
InChIKey VELYAQRXBJLJAK-HWRKDDHMNA-N
SMILES O([C@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1OC=C[C@@]2([H])[C@H](O)C[C@@](O)(C)[C@@]12[H] |&1:1,4,7,9,11,13,17,19,22,25,r|

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