Dehydromonocrotaline
[CAS# 23291-96-5]

Identification

• Name: Dehydromonocrotaline
• Synonyms: 2H-(,6)Dioxacyclounlecino(2,3,4-Gh)Pyrrolizine-2,6(3H)-Dione, 4,5,8,12,13,13A-Hexahydro-4,5-Dihydroxy-3,4,5-Trimethyl-, (3R,4R,5R,13Ar)-; 2H-(,6)Dioxacyclounlecino(2,3,4-Gh)Pyrrolizine-2,6(3H)-Dione, 4,5,8,12,13,13A-Hexahydro-4,5-Dihydroxy-3,4,5-Trimethyl-, (3R-(3R*,4R*,5R*,13Ar*))-; 3,8-Didehydromonocrotaline
• Molecular Formula: C₁₆H₂₁NO₆
• Molecular Weight: 323.35
• CAS Registry Number: 23291-96-5
• SMILES: [C@H]12OC(=O)[C@@H]([C@@](O)([C@@](O)(C(OCC3=C1[N](CC2)C=C3)=O)C)C)C
• InChI: 1S/C16H21NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,6,9,11,20-21H,5,7-8H2,1-3H3/t9-,11+,15+,16-/m0/s1
• InChIKey: ZONSVLURFASOJK-LLAGZRPASA-N

Properties

• Density: 1.433g/cm³ (Cal.)
• Boiling point: 556.974°C at 760 mmHg (Cal.)
• Flash point: 290.647°C (Cal.)