(2S,3R)-2,3-Dihydroxy-2-Isopropylbutanoic Acid [[(7R)-5,6,7,7aa-Tetrahydro-7b-[(E)-2-Methyl-2-Butenoyloxy]-3H-Pyrrolizin]-1-Ylmethyl] Ester
[CAS# 82535-76-0]

Identification

• Name: (2S,3R)-2,3-Dihydroxy-2-Isopropylbutanoic Acid [[(7R)-5,6,7,7aa-Tetrahydro-7b-[(E)-2-Methyl-2-Butenoyloxy]-3H-Pyrrolizin]-1-Ylmethyl] Ester
• Synonyms: [(7R,8R)-7-[(E)-2-Methylbut-2-Enoyl]Oxy-5,6,7,8-Tetrahydro-3H-Pyrrolizin-1-Yl]Methyl (2S)-2-Hydroxy-2-(1-Hydroxyethyl)-3-Methyl-Butanoate; (2S)-2-Hydroxy-2-(1-Hydroxyethyl)-3-Methylbutanoic Acid [(7R,8R)-7-[(E)-2-Methyl-1-Oxobut-2-Enoxy]-5,6,7,8-Tetrahydro-3H-Pyrrolizin-1-Yl]Methyl Ester; (E)-2-Methylbut-2-Enoic Acid [(1R,8R)-7-[[(2S)-2-Hydroxy-2-(1-Hydroxyethyl)-3-Methyl-Butanoyl]Oxymethyl]-2,3,5,8-Tetrahydro-1H-Pyrrolizin-1-Yl] Ester
• Molecular Formula: C₂₀H₃₁NO₆
• Molecular Weight: 381.47
• CAS Registry Number: 82535-76-0
• SMILES: [C@@](C(OCC1=CCN2[C@H]1[C@H](OC(C(=C/C)/C)=O)CC2)=O)([C@H](O)C)(C(C)C)O
• InChI: 1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16-,17-,20+/m1/s1
• InChIKey: MVWPTZQHBOWRTF-MVEITQORSA-N

Properties

• Density: 1.206g/cm³ (Cal.)
• Boiling point: 504.992°C at 760 mmHg (Cal.)
• Flash point: 259.21°C (Cal.)