514-67-0

Name RUBROPUNCTATIN
CAS 514-67-0
Molecular Formula C21H22O5
MDL Number MFCD34470836
Molecular Weight 354.4
MOL File 514-67-0.mol
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Chemical Properties

Melting point  156.5-157.0 °C (decomp)(Solv: ethyl ether (60-29-7))
Boiling point  638.8±55.0 °C(Predicted)
density  1.23±0.1 g/cm3(Predicted)
form  Solid
color  Yellow to orange
InChI InChI=1S/C21H22O5/c1-4-6-7-9-17(22)18-16-11-13-10-14(8-5-2)25-12-15(13)19(23)21(16,3)26-20(18)24/h5,8,10-12H,4,6-7,9H2,1-3H3/b8-5+/t21-/m1/s1
InChIKey SULYDLFVUNXAMP-WKOQKXSESA-N
SMILES C1(/C=C/C)OC=C2C(=O)[C@]3(C)OC(=O)C(C(=O)CCCCC)=C3C=C2C=1

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