13-cis Retinoyl beta-D-Glucuronide
[CAS# 78147-42-9]

Identification

• Name: 13-cis Retinoyl beta-D-Glucuronide
• Synonyms: (2S,3S,4S,5R,6S)-6-[(2Z,4E,6Z,8E)-3,7-Dimethyl-9-(2,6,6-Trimethyl-1-Cyclohexenyl)Nona-2,4,6,8-Tetraenoyl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-6-[(2Z,4E,6Z,8E)-3,7-Dimethyl-1-Oxo-9-(2,6,6-Trimethyl-1-Cyclohexenyl)Nona-2,4,6,8-Tetraenoxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-6-[(2Z,4E,6Z,8E)-3,7-Dimethyl-9-(2,6,6-Trimethyl-1-Cyclohexenyl)Nona-2,4,6,8-Tetraenoyl]Oxy-3,4,5-Trihydroxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₂₆H₃₆O₈
• Molecular Weight: 476.57
• CAS Registry Number: 78147-42-9
• SMILES: [C@@H]2(O[C@@H](OC(=O)/C=C(\C=C\C=C(/C=C/C1=C(CCCC1(C)C)C)C)C)[C@H](O)[C@@H](O)[C@@H]2O)C(=O)O
• InChI: 1S/C26H36O8/c1-15(11-12-18-17(3)10-7-13-26(18,4)5)8-6-9-16(2)14-19(27)33-25-22(30)20(28)21(29)23(34-25)24(31)32/h6,8-9,11-12,14,20-23,25,28-30H,7,10,13H2,1-5H3,(H,31,32)/b9-6+,12-11+,15-8-,16-14-/t20-,21-,22+,23-,25+/m0/s1
• InChIKey: MTGFYEHKPMOVNE-PLEZPQHTSA-N

Properties

• Density: 1.249g/cm³ (Cal.)
• Boiling point: 670.367°C at 760 mmHg (Cal.)
• Flash point: 220.099°C (Cal.)