Dihydronovobiocin
[CAS# 29826-16-2]

Identification

• Name: Dihydronovobiocin
• Synonyms: [(3R,4S,5R,6S)-5-Hydroxy-6-[2-Hydroxy-3-[(4-Hydroxy-3-Isopentyl-Benzoyl)Amino]-8-Methyl-4-Oxo-Chromen-7-Yl]Oxy-3-Methoxy-2,2-Dimethyl-Tetrahydropyran-4-Yl] Carbamate; Carbamic Acid [(3R,4S,5R,6S)-5-Hydroxy-6-[[2-Hydroxy-3-[[(4-Hydroxy-3-Isopentylphenyl)-Oxomethyl]Amino]-8-Methyl-4-Oxo-7-Chromenyl]Oxy]-3-Methoxy-2,2-Dimethyl-4-Tetrahydropyranyl] Ester; Carbamic Acid [(3R,4S,5R,6S)-5-Hydroxy-6-[2-Hydroxy-3-[(4-Hydroxy-3-Isoamyl-Benzoyl)Amino]-4-Keto-8-Methyl-Chromen-7-Yl]Oxy-3-Methoxy-2,2-Dimethyl-Tetrahydropyran-4-Yl] Ester
• Molecular Formula: C₃₁H₃₈N₂O₁₁
• Molecular Weight: 614.65
• CAS Registry Number: 29826-16-2
• 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)CCC(C)C)C)[C@H](O)[C@@H]4OC(=O)N)(C)C
• InChI: 1S/C31H38N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h9-14,23,25-26,29,34,36,38H,7-8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29+/m1/s1
• InChIKey: ZONJZOYNVKIDTJ-HYFMXHDLSA-N

Properties

• Density: 1.402g/cm³ (Cal.)
• Boiling point: 839.339°C at 760 mmHg (Cal.)
• Flash point: 461.415°C (Cal.)