142037-79-4

Name 14-Epiandrographolide
CAS 142037-79-4
Molecular Formula C20H30O5
MDL Number MFCD24849310
Molecular Weight 350.46
MOL File 142037-79-4.mol
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Chemical Properties

Melting point  200-202 °C
Boiling point  557.3±50.0 °C(Predicted)
density  1.21±0.1 g/cm3(Predicted)
storage temp.  -20°C
form  solid
pka 12.36±0.20(Predicted)
Major Application metabolomics
vitamins, nutraceuticals, and natural products
InChI 1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15+,16+,17-,19+,20+/m1/s1
InChIKey BOJKULTULYSRAS-NPWGMBKGSA-N
SMILES C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C\C=C3/[C@@H](O)COC3=O)C(=C)CC[C@H]12

Safety Data

WGK Germany  3
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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