Isoharringtonine
[CAS# 26833-86-3]

Identification

• Classification: Biochemical >> Chinese herbal medicine ingredients
• Name: Isoharringtonine
• Synonyms: 4-Methylcephalotaxine 2,3-Dihydroxy-2-(3-Methylbutyl)Butanedioate Ester; Cephalotaxine, 4-Methyl (2R,3S)-2,3-Dihydroxy-2-(3-Methylbutyl)Butanedioate (Ester) (9Ci); Cephalotaxine, 4-Methyl 2,3-Dihydroxy-2-(3-Methylbutyl)Butanedioate (Ester), (3(2R,3S))- (9Ci)
• Molecular Formula: C₂₈H₃₇NO₉
• Molecular Weight: 531.60
• CAS Registry Number: 26833-86-3
• SMILES: [C@@]145[C@@H]([C@H](OC([C@]([C@@H](C(=O)OC)O)(CCC(C)C)O)=O)C(=C1)OC)C2=C(C=C3C(=C2)OCO3)CCN4CCC5
• InChI: 1S/C28H37NO9/c1-16(2)6-9-28(33,24(30)25(31)35-4)26(32)38-23-21(34-3)14-27-8-5-10-29(27)11-7-17-12-19-20(37-15-36-19)13-18(17)22(23)27/h12-14,16,22-24,30,33H,5-11,15H2,1-4H3/t22-,23-,24-,27+,28-/m1/s1
• InChIKey: CAOHZEUEVKYHPF-XWHOPEMDSA-N

Properties

• Density: 1.352g/cm³ (Cal.)
• Boiling point: 632.524°C at 760 mmHg (Cal.)
• Flash point: 336.339°C (Cal.)