Methyl (1R-(1alpha,4beta,5beta,6beta,6abeta,9alpha,9abeta))-Octahydro-1,5,6a-Trihydroxy-9-Methyl-2,2'-Dioxospiro(6H-4,9a-Methanocyclopent(d)Oxocin-6,3'-Oxetane)-5-Carboxylate
[CAS# 153445-93-3]

Identification

• Name: Methyl (1R-(1alpha,4beta,5beta,6beta,6abeta,9alpha,9abeta))-Octahydro-1,5,6a-Trihydroxy-9-Methyl-2,2'-Dioxospiro(6H-4,9a-Methanocyclopent(d)Oxocin-6,3'-Oxetane)-5-Carboxylate
• Synonyms: Methyl Octahydro-1,5,6A-Trihydroxy-9-Methyl-2,2'-Dioxospiro(6H-4,9A-Methanocyclopent(D)Oxocin-6,3'-Oxetane)-5-Carboxylate (1R-(1Alpha,4Beta,5Beta,6Beta,6Abeta,9Alpha,9Abeta))-; Spiro(6H,4,9A-Methanocyclopent(D)Oxocin-6,3'-Oxetane)-5-Carboxylic Acid, Octahydro-1,5,6A-Trihydroxy-9-Methyl-2,2'-Dioxo-, Methyl Ester, (1R-(1Alpha,4Beta,5Beta,6Beta,6Abeta,9Alpha,9Abeta))-; Spiro(6H-4,9A-Methanocyclopent(D)-Oxocin-6,3'-Oxetane)-5-Carboxylic Acid, Octahydro-2,2'-Dioxo-9-Methyl-1,5,6A-Trihydroxy-, Methyl Ester, (1R-(1-Alpha,4-Beta,5-Beta,6-Beta,6A-Beta,9-Alpha,9A-Beta))-
• Molecular Formula: C₁₆H₂₀O₉
• Molecular Weight: 356.33
• CAS Registry Number: 153445-93-3
• SMILES: CC4C12C(C3(C(C(OC(=O)C1O)C2)(C(=O)OC)O)C(=O)OC3)(CC4)O
• InChI: 1S/C16H20O9/c1-7-3-4-15(21)13(7)5-8(25-10(18)9(13)17)16(22,12(20)23-2)14(15)6-24-11(14)19/h7-9,17,21-22H,3-6H2,1-2H3
• InChIKey: BPDHZCGFGOWILW-UHFFFAOYSA-N

Properties

• Density: 1.604g/cm³ (Cal.)
• Boiling point: 602.979°C at 760 mmHg (Cal.)
• Flash point: 223.716°C (Cal.)