549-23-5

Name SCLEROTIORIN
CAS 549-23-5
Molecular Formula C21H23ClO5
MDL Number MFCD03427490
Molecular Weight 390.86
MOL File 549-23-5.mol
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Chemical Properties

Melting point  206-207℃
alpha  [α]D20 +450～+550゜ (c=1, CHCl3)
Boiling point  482.9±45.0 °C(Predicted)
density  1.23±0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMF: 30 mg/ml; DMF:PBS(pH7.2) (1:2): 0.3 mg/ml; DMSO: 20 mg/ml; Ethanol: 3 mg/ml
form  A crystalline solid
color  Yellow
InChI InChI=1S/C21H23ClO5/c1-6-12(2)9-13(3)7-8-15-10-16-17(11-26-15)19(24)21(5,27-14(4)23)20(25)18(16)22/h7-12H,6H2,1-5H3/b8-7+,13-9+/t12-,21+/m0/s1
InChIKey SWJLTKXURNHVHE-UPWXJBBJSA-N
SMILES C1(/C=C/C(/C)=C/[C@@H](C)CC)OC=C2C(=O)[C@](OC(C)=O)(C)C(=O)C(Cl)=C2C=1

Safety Data

HS Code  29411000

Hazard Information

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