(9S,15S)-15-Amino-1-methyltricyclo[7.5.1.0^2,7]pentadeca-2,4,6-trien-4-yl alpha-L-idopyranosiduronic acid
[CAS# 76948-31-7]

Identification

• Name: (9S,15S)-15-Amino-1-methyltricyclo[7.5.1.0^2,7]pentadeca-2,4,6-trien-4-yl alpha-L-idopyranosiduronic acid
• Synonyms: Dezocine glucuronide; β-D-Glucopyranosiduronic acid, 13-amino-5,6,7,8,9,10,11,12-octahydro-5-methyl-5,11-methanobenzocyclodecen-3-yl, (5R-(5α,11α,13S*))-
• Molecular Formula: C₂₂H₃₁NO₇
• Molecular Weight: 421.48
• CAS Registry Number: 76948-31-7
• SMILES: O=C(O)[C@@H]4O[C@@H](Oc1ccc3c(c1)C2(C)CCCCC[C@H]([C@@H]2N)C3)[C@H](O)[C@@H](O)[C@@H]4O
• InChI: 1S/C22H31NO7/c1-22-8-4-2-3-5-12(19(22)23)9-11-6-7-13(10-14(11)22)29-21-17(26)15(24)16(25)18(30-21)20(27)28/h6-7,10,12,15-19,21,24-26H,2-5,8-9,23H2,1H3,(H,27,28)/t12-,15-,16-,17+,18+,19-,21+,22?/m0/s1
• InChIKey: OGFASZKCOLUFAW-MOJNFCBQSA-N

Properties

• Density: 1.364g/cm³ (Cal.)
• Boiling point: 657.676°C at 760 mmHg (Cal.)
• Flash point: 351.55°C (Cal.)