Lythrine
[CAS# 5286-10-2]

Identification

• Name: Lythrine
• Molecular Formula: C₂₆H₂₉NO₅
• Molecular Weight: 435.52
• CAS Registry Number: 5286-10-2
• SMILES: [C@@H]23C5=C(C1=CC(=CC=C1O)\C=C/C(O[C@H](C2)C[C@H]4N3CCCC4)=O)C=C(C(=C5)OC)OC
• InChI: 1S/C26H29NO5/c1-30-24-14-19-20(15-25(24)31-2)22-13-18(12-17-5-3-4-10-27(17)22)32-26(29)9-7-16-6-8-23(28)21(19)11-16/h6-9,11,14-15,17-18,22,28H,3-5,10,12-13H2,1-2H3/b9-7-/t17-,18-,22-/m0/s1
• InChIKey: WCZWUYYJZVBKDZ-ZQMQQCDVSA-N

Properties

• Density: 1.306g/cm³ (Cal.)
• Boiling point: 655.364°C at 760 mmHg (Cal.)
• Flash point: 350.152°C (Cal.)

References

• (1): Chausset-Boissarie Laëtitia, Àrvai Roman, Cumming Graham R., Guénée Laure, Kündig E. Peter. Asymmetric synthesis of (+)-vertine and (+)-lythrine, Organic & Biomolecular Chemistry, 2012