Bafilomycin D
[CAS# 98813-13-9]

Identification

• Name: Bafilomycin D
• Synonyms: (3E,5E,7R,8S,9S,11E,13E,15S,16R)-16-[(E,1S,2R,3S,7S,8R)-2,8-Dihydroxy-1,3,7,9-Tetramethyl-4-Oxo-Dec-5-Enyl]-8-Hydroxy-3,15-Dimethoxy-5,7,9,11-Tetramethyl-1-Oxacyclohexadeca-3,5,11,13-Tetraen-2-One; (3E,5E,7R,8S,9S,11E,13E,15S,16R)-16-[(E,1S,2R,3S,7S,8R)-2,
• Molecular Formula: C₃₅H₅₆O₈
• Molecular Weight: 604.82
• CAS Registry Number: 98813-13-9
• SMILES: [C@@H]1(OC(=O)C(=C\C(=C\[C@H]([C@@H](O)[C@H](CC(=C/C=C/[C@@H]1OC)/C)C)C)C)/OC)[C@H]([C@@H](O)[C@@H](C(=O)\C=C\[C@@H]([C@H](O)C(C)C)C)C)C
• InChI: 1S/C35H56O8/c1-20(2)31(37)23(5)15-16-28(36)26(8)33(39)27(9)34-29(41-10)14-12-13-21(3)17-24(6)32(38)25(7)18-22(4)19-30(42-11)35(40)43-34/h12-16,18-20,23-27,29,31-34,37-39H,17H2,1-11H3/b14-12+,16-15+,21-13+,22-18+,30-19+/t23-,24-,25+,26+,27-,29-,31+,32-,33-
• InChIKey: ZKOTUWJMGBWBEO-YXTSRGFTSA-N

Properties

• Density: 1.086g/cm³ (Cal.)
• Boiling point: 752.791°C at 760 mmHg (Cal.)
• Flash point: 226.546°C (Cal.)