78804-17-8

Name (-)-ZEYLENOL
CAS 78804-17-8
Molecular Formula C21H20O7
MDL Number MFCD23701743
Molecular Weight 384.382
MOL File 78804-17-8.mol

Chemical Properties

Melting point  131-132℃
Boiling point  545.0±50.0 °C(Predicted)
density  1.41
storage temp.  Sealed in dry,2-8°C
pka 12.29±0.70(Predicted)
InChI InChI=1S/C21H20O7/c22-17-12-11-16(28-20(25)15-9-5-2-6-10-15)18(23)21(17,26)13-27-19(24)14-7-3-1-4-8-14/h1-12,16-18,22-23,26H,13H2/t16-,17+,18+,21-/m1/s1
InChIKey AWCUZBLYCWUTRL-OEMYIYORSA-N
SMILES [C@H]1(O)C=C[C@@H](OC(=O)C2=CC=CC=C2)[C@H](O)[C@]1(COC(=O)C1=CC=CC=C1)O

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