[(3R,4R,5R,6S)-5-Carbamoyloxy-6-[2-Hydroxy-3-[[4-Hydroxy-3-(3-Methylbut-2-Enyl)Benzoyl]Amino]-8-Methyl-4-Oxochromen-7-Yl]Oxy-3-Methoxy-2,2-Dimethyloxan-4-Yl] Carbamate
[CAS# 138686-58-5]

Identification

• Name: [(3R,4R,5R,6S)-5-Carbamoyloxy-6-[2-Hydroxy-3-[[4-Hydroxy-3-(3-Methylbut-2-Enyl)Benzoyl]Amino]-8-Methyl-4-Oxochromen-7-Yl]Oxy-3-Methoxy-2,2-Dimethyloxan-4-Yl] Carbamate
• Synonyms: [(3R,4R,5R,6S)-5-Carbamoyloxy-6-[2-Hydroxy-3-[[4-Hydroxy-3-(3-Methylbut-2-Enyl)Benzoyl]Amino]-8-Methyl-4-Oxo-Chromen-7-Yl]Oxy-3-Methoxy-2,2-Dimethyl-Tetrahydropyran-4-Yl] Carbamate; Carbamic Acid [(3R,4R,5R,6S)-5-Carbamoyloxy-6-[[2-Hydroxy-3-[[[4-Hydroxy-3-(3-Methylbut-2-Enyl)Phenyl]-Oxomethyl]Amino]-8-Methyl-4-Oxo-7-Chromenyl]Oxy]-3-Methoxy-2,2-Dimethyl-4-Tetrahydropyranyl] Ester; Carbamic Acid [(3R,4R,5R,6S)-5-Carbamoyloxy-6-[2-Hydroxy-3-[[4-Hydroxy-3-(3-Methylbut-2-Enyl)Benzoyl]Amino]-4-Keto-8-Methyl-Chromen-7-Yl]Oxy-3-Methoxy-2,2-Dimethyl-Tetrahydropyran-4-Yl] Ester
• Molecular Formula: C₃₂H₃₇N₃O₁₂
• Molecular Weight: 655.66
• CAS Registry Number: 138686-58-5
• SMILES: [C@H]4(OC)C(O[C@H](OC1=C(C2=C(C=C1)C(=O)C(=C(O2)O)NC(=O)C3=CC(=C(O)C=C3)CC=C(C)C)C)[C@H](OC(=O)N)[C@@H]4OC(=O)N)(C)C
• InChI: 1S/C32H37N3O12/c1-14(2)7-8-16-13-17(9-11-19(16)36)27(38)35-21-22(37)18-10-12-20(15(3)23(18)44-28(21)39)43-29-25(46-31(34)41)24(45-30(33)40)26(42-6)32(4,5)47-29/h7,9-13,24-26,29,36,39H,8H2,1-6H3,(H2,33,40)(H2,34,41)(H,35,38)/t24-,25+,26+,29-/m0/s1
• InChIKey: DPMKGPFGEWVMJS-OSSDZZHWSA-N

Properties

• Density: 1.438g/cm³ (Cal.)
• Boiling point: 895.554°C at 760 mmHg (Cal.)
• Flash point: 495.413°C (Cal.)