16503-32-5

Name Brevilin A
CAS 16503-32-5
Molecular Formula C20H26O5
MDL Number MFCD04034623
Molecular Weight 346.42
MOL File 16503-32-5.mol
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Chemical Properties

Boiling point  494.0±45.0 °C(Predicted)
density  1.17±0.1 g/cm3(Predicted)
storage temp.  Sealed in dry,2-8°C
solubility  DMSO:100.0(Max Conc. mg/mL);288.67(Max Conc. mM)
form  A solid
color  White to off-white
InChI 1S/C20H26O5/c1-6-10(2)18(22)25-17-16-12(4)19(23)24-14(16)9-11(3)13-7-8-15(21)20(13,17)5/h6-8,11-14,16-17H,9H2,1-5H3/b10-6-/t11-,12+,13+,14-,16-,17+,20+/m1/s1
InChIKey KUPPZVXLWANEJJ-UXPPPGSFSA-N
SMILES C(O[C@H]1[C@]2([H])[C@H](C)C(=O)O[C@]2([H])C[C@@H](C)[C@@]2([H])[C@@]1(C)C(=O)C=C2)(=O)/C(/C)=C\C

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H317
Precautionary statements  P280-P302+P352
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Skin Sens. 1

Hazard Information

Spectrum Detail

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