Jacoline
[CAS# 480-76-2]

Identification

• Name: Jacoline
• Synonyms: Senecionan-11,16-Dione, 15,20-Dihydro-12,15,20-Trihydroxy-, (15Alpha,20R)-; 12,15,20-Trihydroxy-15,20-Dihydrosenecionan-11,16-Dione; (1,6)Dioxacyclododecino(2,3,4-Gh)Pyrrolizine-2,7-Dione, 3,4,5,6,9,11,13,14,14A,14B-Decahydro-3,6-Dihydroxy-3-((1R)-1-Hydroxyethyl)-5,6-Dimethyl-, (3R,5R,6S,14Ar,14Br)-
• Molecular Formula: C₁₈H₂₇NO₇
• Molecular Weight: 369.41
• CAS Registry Number: 480-76-2
• SMILES: CC3(O)C(CC(O)(C(OC1C2N(CC1)CC=C2COC3=O)=O)C(O)C)C
• InChI: 1S/C18H27NO7/c1-10-8-18(24,11(2)20)16(22)26-13-5-7-19-6-4-12(14(13)19)9-25-15(21)17(10,3)23/h4,10-11,13-14,20,23-24H,5-9H2,1-3H3
• InChIKey: FMWJEBGSMAOQNN-UHFFFAOYSA-N

Properties

• Density: 1.37g/cm³ (Cal.)
• Boiling point: 583.492°C at 760 mmHg (Cal.)
• Flash point: 306.685°C (Cal.)