Heliotrine, 4-Oxide
[CAS# 6209-65-0]

Identification

• Name: Heliotrine, 4-Oxide
• Synonyms: [(7S,8S)-7-Hydroxy-4-Oxido-5,6,7,8-Tetrahydro-3H-Pyrrolizin-4-Ium-1-Yl]Methyl 2-Hydroxy-2-Isopropyl-3-Methoxy-Butanoate; 2-Hydroxy-2-Isopropyl-3-Methoxybutanoic Acid [(7S,8S)-7-Hydroxy-4-Oxido-5,6,7,8-Tetrahydro-3H-Pyrrolizin-4-Ium-1-Yl]Methyl Ester; 2-Hydroxy-2-Isopropyl-3-Methoxy-Butyric Acid [(7S,8S)-7-Hydroxy-4-Oxido-5,6,7,8-Tetrahydro-3H-Pyrrolizin-4-Ium-1-Yl]Methyl Ester
• Molecular Formula: C₁₆H₂₇NO₆
• Molecular Weight: 329.39
• CAS Registry Number: 6209-65-0
• SMILES: [C@H]12[N+]([O-])(CC=C1COC(=O)C(O)(C(OC)C)C(C)C)CC[C@@H]2O
• InChI: 1S/C16H27NO6/c1-10(2)16(20,11(3)22-4)15(19)23-9-12-5-7-17(21)8-6-13(18)14(12)17/h5,10-11,13-14,18,20H,6-9H2,1-4H3/t11?,13-,14-,16?,17?/m0/s1
• InChIKey: QSTHEUSPIBEICI-ORJSOOTCSA-N