12-Dehydro-6alpha-Senecioyloxychaparrin
[CAS# 103850-77-7]

Identification

• Name: 12-Dehydro-6alpha-Senecioyloxychaparrin
• Synonyms: 12-Dsoc; Picras-3-Ene-12,16-Dione, 11,20-Epoxy-1,2,11-Trihydroxy-6-((3-Methyl-1-Oxo-2-Butenyl)Oxy)-, (1Beta,2Alpha,6Alpha,11Beta)-
• Molecular Formula: C₂₅H₃₂O₉
• Molecular Weight: 476.52
• CAS Registry Number: 103850-77-7
• SMILES: [C@]124[C@H]3[C@@]5([C@@H]([C@@H](OC(=O)C=C(C)C)[C@H]1OC(=O)C[C@H]2[C@H](C(=O)[C@@]3(OC4)O)C)C(=C[C@H](O)[C@H]5O)C)C
• InChI: 1S/C25H32O9/c1-10(2)6-15(27)33-18-17-11(3)7-14(26)20(30)23(17,5)22-24-9-32-25(22,31)19(29)12(4)13(24)8-16(28)34-21(18)24/h6-7,12-14,17-18,20-22,26,30-31H,8-9H2,1-5H3/t12-,13+,14+,17-,18-,20-,21-,22-,23-,24-,25+/m1/s1
• InChIKey: KVDUCPNVQRXURP-LDWFOVIJSA-N

Properties

• Density: 1.412g/cm³ (Cal.)
• Boiling point: 676.615°C at 760 mmHg (Cal.)
• Flash point: 228.705°C (Cal.)