(2Z)-6-Methyl-2-[(3R,4S,8S,9R,10S,11R,13R,14R,16S)-3,11,16-Trihydroxy-4,10,14-Trimethyl-1,2,3,4,5,6,7,8,9,11,12,13,15,16-Tetradecahydrocyclopenta[a]Phenanthren-17-Ylidene]Hept-5-Enoic Acid
[CAS# 13090-91-0]

Identification

• Name: (2Z)-6-Methyl-2-[(3R,4S,8S,9R,10S,11R,13R,14R,16S)-3,11,16-Trihydroxy-4,10,14-Trimethyl-1,2,3,4,5,6,7,8,9,11,12,13,15,16-Tetradecahydrocyclopenta[a]Phenanthren-17-Ylidene]Hept-5-Enoic Acid
• Synonyms: 29-Nordammara-17(20),24-Dien-21-Oic Acid, 3,11,16-Trihydroxy-, (3Alpha,4Alpha,8Alpha,9Beta,11Alpha,13Alpha,14Beta,16Beta,17Z)-; 16-O-16-Epideacetylfusidic Acid; 16-O-Deacetylfusidic Acid
• Molecular Formula: C₂₈H₄₄O₅
• Molecular Weight: 460.65
• CAS Registry Number: 13090-91-0
• SMILES: [C@H]1(CC[C@]3(C([C@@H]1C)CC[C@@H]4[C@@]2(C)C[C@@H](\C(=C(\CCC=C(C)C)C(=O)O)[C@@H]2C[C@H]([C@@H]34)O)O)C)O
• InChI: 1S/C28H44O5/c1-15(2)7-6-8-17(26(32)33)24-20-13-22(30)25-19(28(20,5)14-23(24)31)10-9-18-16(3)21(29)11-12-27(18,25)4/h7,16,18-23,25,29-31H,6,8-14H2,1-5H3,(H,32,33)/b24-17-/t16-,18?,19-,20-,21+,22+,23-,25-,27-,28+/m0/s1
• InChIKey: FOZPAEYUVIMFOE-MZQWSZLHSA-N

Properties

• Density: 1.159g/cm³ (Cal.)
• Boiling point: 633.63°C at 760 mmHg (Cal.)
• Flash point: 351.013°C (Cal.)