Fasciculol E
[CAS# 65694-20-4]

Identification

• Name: Fasciculol E
• Synonyms: [(2R,3R,10S,12S,13R,14S,17R)-17-[(1R,4R)-4,5-Dihydroxy-1-(Hydroxymethyl)-5-Methyl-Hexyl]-2,12-Dihydroxy-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] 3-Hydroxy-5-[(2-Methoxy-2-Oxo-Ethyl)Amino]-3-Methyl-5-Oxo-Pentanoate; 3-Hydroxy-5-[(2-Methoxy-2-Oxoethyl)Amino]-3-Methyl-5-Oxopentanoic Acid [(2R,3R,10S,12S,13R,14S,17R)-17-[(1R,4R)-4,5-Dihydroxy-1-(Hydroxymethyl)-5-Methylhexyl]-2,12-Dihydroxy-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; 3-Hydroxy-5-Keto-5-[(2-Keto-2-Methoxy-Ethyl)Amino]-3-Methyl-Valeric Acid [(2R,3R,10S,12S,13R,14S,17R)-17-[(1R,4R)-4,5-Dihydroxy-5-Methyl-1-Methylol-Hexyl]-2,12-Dihydroxy-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester
• Molecular Formula: C₃₉H₆₅NO₁₁
• Molecular Weight: 723.94
• CAS Registry Number: 65694-20-4
• SMILES: [C@]34(C2=C([C@@]1(CC[C@@H]([C@]1([C@H](C2)O)C)[C@@H](CC[C@H](C(O)(C)C)O)CO)C)CCC3C(C)(C)[C@H]([C@@H](C4)O)OC(CC(CC(NCC(=O)OC)=O)(O)C)=O)C
• InChI: 1S/C39H65NO11/c1-34(2)27-12-11-24-25(16-29(44)39(8)23(14-15-38(24,39)7)22(21-41)10-13-28(43)35(3,4)48)37(27,6)17-26(42)33(34)51-31(46)19-36(5,49)18-30(45)40-20-32(47)50-9/h22-23,26-29,33,41-44,48-49H,10-21H2,1-9H3,(H,40,45)/t22-,23+,26+,27?,28+,29-,33-,36?,37+,38-,39-/m0/s1
• InChIKey: XCIUFBDNARZOSJ-FWXHQPNRSA-N

Properties

• Density: 1.245g/cm³ (Cal.)
• Boiling point: 860.795°C at 760 mmHg (Cal.)
• Flash point: 474.392°C (Cal.)