Dehydroheliotrine
[CAS# 23107-11-1]

Identification

• Name: Dehydroheliotrine
• Synonyms: [(7S)-7-Hydroxy-6,7-Dihydro-5H-Pyrrolizin-1-Yl]Methyl 2-Hydroxy-2-Isopropyl-3-Methoxy-Butanoate; 2-Hydroxy-2-Isopropyl-3-Methoxybutanoic Acid [(7S)-7-Hydroxy-6,7-Dihydro-5H-Pyrrolizin-1-Yl]Methyl Ester; 2-Hydroxy-2-Isopropyl-3-Methoxy-Butyric Acid [(7S)-7-Hydroxy-6,7-Dihydro-5H-Pyrrolizin-1-Yl]Methyl Ester
• Molecular Formula: C₁₆H₂₅NO₅
• Molecular Weight: 311.38
• CAS Registry Number: 23107-11-1
• SMILES: [C@H]2(C1=C(C=C[N]1CC2)COC(C(C(OC)C)(C(C)C)O)=O)O
• InChI: 1S/C16H25NO5/c1-10(2)16(20,11(3)21-4)15(19)22-9-12-5-7-17-8-6-13(18)14(12)17/h5,7,10-11,13,18,20H,6,8-9H2,1-4H3/t11?,13-,16?/m0/s1
• InChIKey: KYSOVPPHGLNVRV-ULKWEWGCSA-N

Properties

• Density: 1.242g/cm³ (Cal.)
• Boiling point: 491.564°C at 760 mmHg (Cal.)
• Flash point: 251.089°C (Cal.)