delta(9)-Tetrahydrocannabinol-11-Oic Acid Glucuronide
[CAS# 76448-35-6]

Identification

• Name: delta(9)-Tetrahydrocannabinol-11-Oic Acid Glucuronide
• Synonyms: (2S,3S,4S,5R,6S)-6-[(6Ar,10Ar)-1-Hydroxy-6,6-Dimethyl-3-Pentyl-6A,7,8,10A-Tetrahydrobenzo[C]Chromene-9-Carbonyl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-6-[[(6Ar,10Ar)-1-Hydroxy-6,6-Dimethyl-3-Pentyl-6A,7,8,10A-Tetrahydrobenzo[C]Chromen-9-Yl]-Oxomethoxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-6-[(6Ar,10Ar)-3-Amyl-1-Hydroxy-6,6-Dimethyl-6A,7,8,10A-Tetrahydrobenzo[C]Chromene-9-Carbonyl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₂₇H₃₆O₁₀
• Molecular Weight: 520.58
• CAS Registry Number: 76448-35-6
• SMILES: [C@@H]13[C@H](C(OC2=CC(=CC(=C12)O)CCCCC)(C)C)CCC(=C3)C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O)=O
• InChI: 1S/C27H36O10/c1-4-5-6-7-13-10-17(28)19-15-12-14(8-9-16(15)27(2,3)37-18(19)11-13)25(34)36-26-22(31)20(29)21(30)23(35-26)24(32)33/h10-12,15-16,20-23,26,28-31H,4-9H2,1-3H3,(H,32,33)/t15-,16-,20+,21+,22-,23+,26+/m1/s1
• InChIKey: UWXZAZRSQQLWKH-XUEDFLTMSA-N

Properties

• Density: 1.404g/cm³ (Cal.)
• Boiling point: 680.958°C at 760 mmHg (Cal.)
• Flash point: 222.506°C (Cal.)