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58546-54-6

Name Gomisin A
CAS 58546-54-6
Molecular Formula C23H28O7
MDL Number MFCD01941645
Molecular Weight 416.46
MOL File 58546-54-6.mol

Chemical Properties

Melting point  88.5°C
Boiling point  454.79°C (rough estimate)
density  1.1772 (rough estimate)
refractive index  1.5300 (estimate)
storage temp.  Sealed in dry,Store in freezer, under -20°C
solubility  DMSO : 50 mg/mL (120.06 mM; Need ultrasonic)H2O : < 0.1 mg/mL (insoluble)
form  powder to crystal
pka 14.58±0.40(Predicted)
color  White to Light yellow
biological source Schisandra chinensis
InChI 1S/C23H28O7/c1-12-7-13-8-16-20(30-11-29-16)22(28-6)17(13)18-14(10-23(12,2)24)9-15(25-3)19(26-4)21(18)27-5/h8-9,12,24H,7,10-11H2,1-6H3/t12-,23-/m0/s1
InChIKey ZWRRJEICIPUPHZ-MYODQAERSA-N
SMILES C[C@]1([H])[C@@](C)(O)CC2=C(C(OC)=C(OC)C(OC)=C2)C3=C(OC)C4=C(OCO4)C=C3C1
LogP 4.770 (est)

Safety Data

Safety Statements 
WGK Germany  WGK 3
HS Code  29329990
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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