(3R,5R)-7-Decyl-3,4-Dihydroxy-2,9-Dioxo-1,8-Dioxaspiro[4.4]Nonane-4-Carboxylic Acid
[CAS# 136266-34-7]

Identification

• Name: (3R,5R)-7-Decyl-3,4-Dihydroxy-2,9-Dioxo-1,8-Dioxaspiro[4.4]Nonane-4-Carboxylic Acid
• Synonyms: (3R,5R)-7-Decyl-3,4-Dihydroxy-2,9-Diketo-1,8-Dioxaspiro[4.4]Nonane-4-Carboxylic Acid; 1,7-Dioxaspiro(4.4)Nonane-4-Carboxylic Acid, 8-Decyl-3,4-Dihydroxy-2,6-Dioxo-, (3R-(3Alpha,4Beta,5Beta(R*)))-; Cinatrin B
• Molecular Formula: C₁₈H₂₈O₈
• Molecular Weight: 372.41
• CAS Registry Number: 136266-34-7
• SMILES: [C@@]12(OC(=O)[C@H](O)C1(O)C(=O)O)C(OC(C2)CCCCCCCCCC)=O
• InChI: 1S/C18H28O8/c1-2-3-4-5-6-7-8-9-10-12-11-17(16(23)25-12)18(24,15(21)22)13(19)14(20)26-17/h12-13,19,24H,2-11H2,1H3,(H,21,22)/t12?,13-,17-,18?/m0/s1
• InChIKey: QUSVCUTZGWKBQJ-ZVRZEWSUSA-N

Properties

• Density: 1.309g/cm³ (Cal.)
• Boiling point: 594.262°C at 760 mmHg (Cal.)
• Flash point: 210.179°C (Cal.)