Deoxyharringtonine
[CAS# 36804-95-2]

Identification

• Classification: Biochemical >> Chinese herbal medicine ingredients
• Name: Deoxyharringtonine
• Synonyms: Cephalotaxine, 4-Methyl-2-Hydroxy-2-(3-Methylbutyl)Butanedioate (Ester), [3(R)]-; Nsc142196
• Molecular Formula: C₂₈H₃₇NO₈
• Molecular Weight: 515.60
• CAS Registry Number: 36804-95-2
• SMILES: [C@@]145[C@@H]([C@H](OC([C@](CC(=O)OC)(CCC(C)C)O)=O)C(=C1)OC)C2=C(C=C3C(=C2)OCO3)CCN4CCC5
• InChI: 1S/C28H37NO8/c1-17(2)6-9-28(32,15-23(30)34-4)26(31)37-25-22(33-3)14-27-8-5-10-29(27)11-7-18-12-20-21(36-16-35-20)13-19(18)24(25)27/h12-14,17,24-25,32H,5-11,15-16H2,1-4H3/t24-,25-,27+,28-/m1/s1
• InChIKey: WRCBXHDQHPUVHW-QKBZBAIHSA-N

Properties

• Density: 1.304g/cm³ (Cal.)
• Boiling point: 645.846°C at 760 mmHg (Cal.)
• Flash point: 344.395°C (Cal.)