Holstiine
[CAS# 11053-97-7]

Identification

• Name: Holstiine
• Synonyms: Holstiine
• Molecular Formula: C₂₂H₂₆N₂O₄
• Molecular Weight: 382.46
• CAS Registry Number: 11053-97-7
• SMILES: C5=CC2=C(N1C3C(COC(O)C1=O)C4C(/CN(C)CCC23C(C4)=O)=C/C)C=C5
• InChI: 1S/C22H26N2O4/c1-3-13-11-23(2)9-8-22-16-6-4-5-7-17(16)24-19(22)15(14(13)10-18(22)25)12-28-21(27)20(24)26/h3-7,14-15,19,21,27H,8-12H2,1-2H3/b13-3+
• InChIKey: BLJOXWGKDCMTMU-QLKAYGNNSA-N

Properties

• Density: 1.355g/cm³ (Cal.)
• Boiling point: 617.881°C at 760 mmHg (Cal.)
• Flash point: 327.483°C (Cal.)

References

• (1): Abdallah Cherif, Gary E. Martin, Luis R. Soltero, Georges Massiot. Configuration and Total Assignment of the 1H- and 13C-nmr Spectra of the Alkaloid Holstiine, J. Nat. Prod., 1990, 53 (4), pp 793–802