16-O-Deacetylfusidic Acid Lactone
[CAS# 4701-54-6]

Identification

• Name: 16-O-Deacetylfusidic Acid Lactone
• Synonyms: 16-O-Deacetylfusidic Acid Lactone; 16-O-Desacetylfusidic Acid Lactone; 29-Nordammara-17(20),24-Dien-21-Oic Acid, 3,11,16-Trihydroxy-, Gamma-Lactone, (3Alpha,4Alpha,8Alpha,9Beta,11Alpha,13Alpha,14Beta,16Beta)-
• Molecular Formula: C₂₉H₄₄O₄
• Molecular Weight: 456.66
• CAS Registry Number: 4701-54-6
• SMILES: [C@]34([C@@H]1[C@H]([C@@]2(C(CC1)[C@@H]([C@H](O)CC2)C)C)[C@H](O)C[C@H]3C5=C(C(OC4C5C)=O)CCC=C(C)C)C
• InChI: 1S/C29H44O4/c1-15(2)8-7-9-18-24-17(4)26(33-27(18)32)29(6)20-11-10-19-16(3)22(30)12-13-28(19,5)25(20)23(31)14-21(24)29/h8,16-17,19-23,25-26,30-31H,7,9-14H2,1-6H3/t16-,17?,19?,20-,21-,22+,23+,25-,26?,28-,29+/m0/s1
• InChIKey: VJLJIUMMRHGGOQ-NLANOYDCSA-N

Properties

• Density: 1.144g/cm³ (Cal.)
• Boiling point: 602.177°C at 760 mmHg (Cal.)
• Flash point: 193.185°C (Cal.)