Platynecine cyclic 5-ethylidene-2,4-dihydroxy-2,3-dimethylhexanedioate (ester)
[CAS# 3573-82-8]

Identification

• Name: Platynecine cyclic 5-ethylidene-2,4-dihydroxy-2,3-dimethylhexanedioate (ester)
• Synonyms: Platynecine, Cyclic 5-Ethylidene-2,4-Dihydroxy-2,3-Dimethylhexanedioate (Ester) (8Ci); Senecionan-11,16-Dione, 1,2-Dihydro-12,14-Dihydroxy-, (1Alpha,14Alpha)- (9Ci); Hygrophylline
• Molecular Formula: C₁₈H₂₇NO₆
• Molecular Weight: 353.41
• CAS Registry Number: 3573-82-8
• SMILES: CC3(O)C(C(O)\C(C(OC1C2N(CC1)CCC2COC3=O)=O)=C\C)C
• InChI: 1S/C18H27NO6/c1-4-12-15(20)10(2)18(3,23)17(22)24-9-11-5-7-19-8-6-13(14(11)19)25-16(12)21/h4,10-11,13-15,20,23H,5-9H2,1-3H3/b12-4-
• InChIKey: FAFYHPIEFKLDSP-QCDXTXTGSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 588.4±50.0°C at 760 mmHg (Cal.)
• Flash point: 309.7±30.1°C (Cal.)