6-Methyl-2-[(3alpha,4alpha,5alpha,8alpha,9beta,11alpha,13alpha,14beta,16alpha)-3,11,16-Trihydroxy-4,8,10,14-Tetramethylgonan-17-Ylidene]-5-Heptenoic Acid
[CAS# 5951-83-7]

Identification

• Name: 6-Methyl-2-[(3alpha,4alpha,5alpha,8alpha,9beta,11alpha,13alpha,14beta,16alpha)-3,11,16-Trihydroxy-4,8,10,14-Tetramethylgonan-17-Ylidene]-5-Heptenoic Acid
• Synonyms: 16-Epidesacetylfusidic acid; EPIDESACETYLFUSIDIC ACID
• Molecular Formula: C₂₉H₄₆O₅
• Molecular Weight: 474.67
• CAS Registry Number: 5951-83-7
• SMILES: O=C(O)C(=C1[C@H](O)C[C@]3([C@H]1C[C@@H](O)[C@H]2[C@@]4([C@@H](CC[C@@]23C)[C@H](C)[C@H](O)CC4)C)C)CC\C=C(/C)C
• InChI: 1S/C29H46O5/c1-16(2)8-7-9-18(26(33)34)24-20-14-22(31)25-27(4)12-11-21(30)17(3)19(27)10-13-28(25,5)29(20,6)15-23(24)32/h8,17,19-23,25,30-32H,7,9-15H2,1-6H3,(H,33,34)/t17-,19-,20-,21+,22+,23+,25-,27-,28-,29-/m0/s1
• InChIKey: ZYPQPWJLUKNCQX-ZOZKCYBESA-N

Properties

• Density: 1.151g/cm³ (Cal.)
• Boiling point: 632.295°C at 760 mmHg (Cal.)
• Flash point: 350.206°C (Cal.)