Bucolome N-Glucuronide
[CAS# 98641-06-6]

Identification

• Name: Bucolome N-Glucuronide
• Synonyms: Sodium (1S,2R,3R,4S)-5-[(1R)-3-Butyl-5-Cyclohexyl-2,4,6-Trioxo-Cyclohexyl]-2,3,4-Trihydroxy-Cyclohexane-1-Carboxylate; Sodium (1S,2R,3R,4S)-5-[(1R)-3-Butyl-5-Cyclohexyl-2,4,6-Trioxocyclohexyl]-2,3,4-Trihydroxy-1-Cyclohexanecarboxylate; Sodium (1S,2R,3R,4S)-
• Molecular Formula: C₂₃H₃₃NaO₈
• Molecular Weight: 460.50
• CAS Registry Number: 98641-06-6
• SMILES: [C@H]2(C1[C@H](O)[C@@H](O)[C@H](O)[C@H](C1)C([O-])=O)C(=O)C(C(=O)C(C2=O)CCCC)C3CCCCC3.[Na+]
• InChI: 1S/C23H34O8.Na/c1-2-3-9-12-17(24)15(11-7-5-4-6-8-11)21(28)16(18(12)25)13-10-14(23(30)31)20(27)22(29)19(13)26;/h11-16,19-20,22,26-27,29H,2-10H2,1H3,(H,30,31);/q;+1/p-1/t12?,13?,14-,15?,16+,19-,20+,22+;/m0./s1
• InChIKey: GSDWEDIBGZCBHU-AMIBHTEKSA-M

Properties

• Boiling point: 673.6°C at 760 mmHg (Cal.)
• Flash point: 375.1°C (Cal.)