Venturicidin A
[CAS# 33538-71-5]

Identification

• Name: Venturicidin A
• Synonyms: [(2R,3R,4R,6S)-3-Hydroxy-6-[[(1R,5S,6R,8R,9Z,11R,15Z,17R)-1-Hydroxy-5-[(3R,4S,5S)-4-Hydroxy-1,3,5-Trimethyl-6-Oxo-Octyl]-6,8,16,18-Tetramethyl-3-Oxo-4,21-Dioxabicyclo[15.3.1]Henicosa-9,15,18-Trien-11-Yl]Oxy]-2-Methyl-Tetrahydropyran-4-Yl] Carbamate; Carbamic Acid [(2R,3R,4R,6S)-3-Hydroxy-6-[[(1R,5S,6R,8R,9Z,11R,15Z,17R)-1-Hydroxy-5-[(3R,4S,5S)-4-Hydroxy-1,3,5-Trimethyl-6-Oxooctyl]-6,8,16,18-Tetramethyl-3-Oxo-4,21-Dioxabicyclo[15.3.1]Henicosa-9,15,18-Trien-11-Yl]Oxy]-2-Methyl-4-Tetrahydropyranyl] Ester; Carbamic Acid [(2R,3R,4R,6S)-3-Hydroxy-6-[[(1R,5S,6R,8R,9Z,11R,15Z,17R)-1-Hydroxy-5-[(3R,4S,5S)-4-Hydroxy-6-Keto-1,3,5-Trimethyl-Octyl]-3-Keto-6,8,16,18-Tetramethyl-4,21-Dioxabicyclo[15.3.1]Henicosa-9,15,18-Trien-11-Yl]Oxy]-2-Methyl-Tetrahydropyran-4-Yl] Ester
• Molecular Formula: C₄₁H₆₇NO₁₁
• Molecular Weight: 749.98
• CAS Registry Number: 33538-71-5
• EINECS: 251-568-3
• SMILES: [C@H]1\3O[C@](O)(CC=C1C)CC(O[C@H](C(C[C@H]([C@H](O)[C@@H](C(=O)CC)C)C)C)[C@@H](C[C@H](\C=C/[C@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](OC(=O)N)C2)C)CCC\C=C3C)C)C)=O
• InChI: 1S/C41H67NO11/c1-10-32(43)29(8)36(45)26(5)20-28(7)38-27(6)19-23(2)15-16-31(50-35-21-33(51-40(42)47)37(46)30(9)49-35)14-12-11-13-24(3)39-25(4)17-18-41(48,53-39)22-34(44)52-38/h13,15-17,23,26-31,33,35-39,45-46,48H,10-12,14,18-22H2,1-9H3,(H2,42,47)/b16-15-,24-13-/t23-,26+,27+,28?,29+,30+,31+,33+,35+,36-,37+,38-,39+,41+/m0/s1
• InChIKey: HHQKNFDAEDTRJK-FQCYAEQZSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 874.9±65.0°C at 760 mmHg (Cal.)
• Flash point: 482.9±34.3°C (Cal.)