Fasciculic Acid A
[CAS# 126906-00-1]

Identification

• Name: Fasciculic Acid A
• Synonyms: 5-[[(2R,3S,10S,13R,14R,17R)-17-[(1R,4R)-4,5-Dihydroxy-1,5-Dimethyl-Hexyl]-3-Hydroxy-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-2-Yl]Oxy]-3-Hydroxy-3-Methyl-5-Oxo-Pentanoic Acid; 5-[[(2R,3S,10S,13R,14R,17R)-17-[(1R,4R)-4,5-Dihydroxy-1,5-Dimethylhexyl]-3-Hydroxy-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-2-Yl]Oxy]-3-Hydroxy-3-Methyl-5-Oxopentanoic Acid; 5-[[(2R,3S,10S,13R,14R,17R)-17-[(1R,4R)-4,5-Dihydroxy-1,5-Dimethyl-Hexyl]-3-Hydroxy-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-2-Yl]Oxy]-3-Hydroxy-5-Keto-3-Methyl-Valeric Acid
• Molecular Formula: C₃₆H₆₀O₈
• Molecular Weight: 620.87
• CAS Registry Number: 126906-00-1
• SMILES: [C@]34([C@](C2=C([C@@]1(C(C([C@H](O)[C@H](OC(=O)CC(O)(CC(=O)O)C)C1)(C)C)CC2)C)CC3)(CC[C@@H]4[C@@H](CC[C@@H](O)C(O)(C)C)C)C)C
• InChI: 1S/C36H60O8/c1-21(10-13-27(37)32(4,5)42)22-14-16-36(9)24-11-12-26-31(2,3)30(41)25(44-29(40)20-33(6,43)19-28(38)39)18-34(26,7)23(24)15-17-35(22,36)8/h21-22,25-27,30,37,41-43H,10-20H2,1-9H3,(H,38,39)/t21-,22-,25-,26?,27-,30-,33?,34-,35-,36+/m1/s1
• InChIKey: VOAJMYUEWCGJID-WRHRTGNFSA-N

Properties

• Density: 1.181g/cm³ (Cal.)
• Boiling point: 738.744°C at 760 mmHg (Cal.)
• Flash point: 221.643°C (Cal.)