[(3aS,5S,6R,7S,7aS)-7-[(E)-But-2-Enoxy]-2-Methyl-5-(Phenylmethoxymethyl)-5,6,7,7a-Tetrahydro-3aH-Pyrano[5,6-d][1,3]Oxazol-6-Yl] Acetate
[CAS# 78138-59-7]

Identification

• Name: [(3aS,5S,6R,7S,7aS)-7-[(E)-But-2-Enoxy]-2-Methyl-5-(Phenylmethoxymethyl)-5,6,7,7a-Tetrahydro-3aH-Pyrano[5,6-d][1,3]Oxazol-6-Yl] Acetate
• Synonyms: [(3As,5S,6R,7S,7As)-7-[(E)-But-2-Enoxy]-2-Methyl-5-(Phenylmethoxymethyl)-5,6,7,7A-Tetrahydro-3Ah-Pyrano[5,6-D]Oxazol-6-Yl] Acetate; Acetic Acid [(3As,5S,6R,7S,7As)-7-[(E)-But-2-Enoxy]-2-Methyl-5-(Phenylmethoxymethyl)-5,6,7,7A-Tetrahydro-3Ah-Pyrano[5,6-D]Oxazol-6-Yl] Ester; Acetic Acid [(3As,5S,6R,7S,7As)-5-(Benzyloxymethyl)-7-[(E)-But-2-Enoxy]-2-Methyl-5,6,7,7A-Tetrahydro-3Ah-Pyrano[5,6-D]Oxazol-6-Yl] Ester
• Molecular Formula: C₂₁H₂₇NO₆
• Molecular Weight: 389.45
• CAS Registry Number: 78138-59-7
• SMILES: [C@@H]12N=C(O[C@@H]1O[C@H]([C@H](OC(=O)C)[C@H]2OC\C=C\C)COCC3=CC=CC=C3)C
• InChI: 1S/C21H27NO6/c1-4-5-11-25-20-18-21(26-14(2)22-18)28-17(19(20)27-15(3)23)13-24-12-16-9-7-6-8-10-16/h4-10,17-21H,11-13H2,1-3H3/b5-4+/t17-,18-,19-,20-,21+/m0/s1
• InChIKey: WGLSLLTXEVNTGP-KCVDAPTQSA-N

Properties

• Density: 1.229g/cm³ (Cal.)
• Boiling point: 500.169°C at 760 mmHg (Cal.)
• Flash point: 185.722°C (Cal.)