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905954-17-8

Name Psoralenoside
CAS 905954-17-8
Molecular Formula C17H18O9
MDL Number MFCD21333545
Molecular Weight 366.319
MOL File 905954-17-8.mol
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Chemical Properties

Boiling point  662.4±55.0 °C(Predicted)
density  1.599±0.06 g/cm3(Predicted)
storage temp.  4°C, away from moisture and light
solubility  Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form  Powder
pka 4.19±0.40(Predicted)
color  White to off-white
InChI InChI=1/C17H18O9/c18-7-12-14(21)15(22)16(23)17(26-12)25-11-6-10-9(3-4-24-10)5-8(11)1-2-13(19)20/h1-6,12,14-18,21-23H,7H2,(H,19,20)/b2-1-/t12-,14-,15+,16-,17-/s3
InChIKey XRLPSAYLYDMYGX-GHTCLYOGNA-N
SMILES C(O)(=O)/C=C\C1C=C2C(=CC=1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)OC=C2 |&1:12,13,15,17,19,r|

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