(1S-(1alpha(S*),5alpha,8aalpha,8balpha))-1,2,5,6,7,8,8a,8b-Octahydro-1-(1-Hydroxyethyl)-5-Methoxy-2-Oxoazeto(2,1-a)Isoindole-4-Carboxylic Acid
[CAS# 156769-21-0]

Identification

• Name: (1S-(1alpha(S*),5alpha,8aalpha,8balpha))-1,2,5,6,7,8,8a,8b-Octahydro-1-(1-Hydroxyethyl)-5-Methoxy-2-Oxoazeto(2,1-a)Isoindole-4-Carboxylic Acid
• Synonyms: 1,2,5,6,7,8,8A,8B-Octahydro-1-(1-Hydroxyethyl)-5-Methoxy-2-Oxoazeto(2,1-A)Isoindole-4-Carboxylic Acid (1S-(1Alpha(S*),5Alpha,8Aalpha,8Balpha))-; Azeto(2,1-A)Isoindole-4-Carboxylic Acid, 1,2,5,6,7,8,8A,8B-Octahydro-1-(1-Hydroxyethyl)-5-Methoxy-2-Oxo-, (1S-(1Alpha(S*),5Alpha,8Aalpha,8Balpha))-
• Molecular Formula: C₁₄H₁₉NO₅
• Molecular Weight: 281.31
• CAS Registry Number: 156769-21-0
• SMILES: [C@@H]13N(C(=C2[C@@H]1CCC[C@@H]2OC)C(O)=O)C(=O)[C@@H]3[C@@H](C)O
• InChI: 1S/C14H19NO5/c1-6(16)9-11-7-4-3-5-8(20-2)10(7)12(14(18)19)15(11)13(9)17/h6-9,11,16H,3-5H2,1-2H3,(H,18,19)/t6-,7+,8+,9-,11-/m1/s1
• InChIKey: ICFDDEJRXZSWTA-KJFVXYAMSA-N

Properties

• Density: 1.399g/cm³ (Cal.)
• Boiling point: 536.095°C at 760 mmHg (Cal.)
• Flash point: 278.021°C (Cal.)