Herbimycin C
[CAS# 91700-92-4]

Identification

• Name: Herbimycin C
• Synonyms: Carbamic Acid [(2R,3S,5R,6S,7R,8E,10R,11R,12Z,14E)-6-Hydroxy-2,5,11-Trimethoxy-3,7,9,15-Tetramethyl-16,20,22-Trioxo-17-Azabicyclo[16.3.1]Docosa-1(21),8,12,14,18-Pentaen-10-Yl] Ester; Carbamic Acid [(2R,3S,5R,6S,7R,8E,10R,11R,12Z,14E)-6-Hydroxy-16,20,22-Tri
• Molecular Formula: C₂₉H₄₀N₂O₉
• Molecular Weight: 560.64
• CAS Registry Number: 91700-92-4
• SMILES: [C@H]1(OC)C2=CC(=O)C=C(NC(=O)C(=C/C=C\[C@@H](OC)[C@H](OC(=O)N)\C(=C\[C@H]([C@H](O)[C@H](OC)C[C@@H]1C)C)C)/C)C2=O
• InChI: 1S/C29H40N2O9/c1-15-9-8-10-22(37-5)27(40-29(30)36)17(3)11-16(2)24(33)23(38-6)12-18(4)26(39-7)20-13-19(32)14-21(25(20)34)31-28(15)35/h8-11,13-14,16,18,22-24,26-27,33H,12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,15-9+,17-11+/t16-,18+,22-,23-,24+,26-,27-/m1/s1
• InChIKey: DWFFHRSGCPBMKD-OZVZJJIRSA-N

Properties

• Density: 1.232g/cm³ (Cal.)
• Boiling point: 774.056°C at 760 mmHg (Cal.)
• Flash point: 421.934°C (Cal.)