Fasciculol C
[CAS# 65694-19-1]

Identification

• Name: Fasciculol C
• Synonyms: (2R,3R,10S,12S,13R,14S,17R)-17-[(1R,4R)-4,5-Dihydroxy-1-(Hydroxymethyl)-5-Methyl-Hexyl]-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthrene-2,3,12-Triol; (2R,3R,10S,12S,13R,14S,17R)-17-[(1R,4R)-4,5-Dihydroxy-1-(Hydroxymethyl)-5-Methylhexyl]-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthrene-2,3,12-Triol; (2R,3R,10S,12S,13R,14S,17R)-17-[(1R,4R)-4,5-Dihydroxy-5-Methyl-1-Methylol-Hexyl]-4,4,10,13,14-Pentamethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthrene-2,3,12-Triol
• Molecular Formula: C₃₀H₅₂O₆
• Molecular Weight: 508.74
• CAS Registry Number: 65694-19-1
• 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)O)C
• InChI: 1S/C30H52O6/c1-26(2)22-10-9-19-20(28(22,5)15-21(32)25(26)35)14-24(34)30(7)18(12-13-29(19,30)6)17(16-31)8-11-23(33)27(3,4)36/h17-18,21-25,31-36H,8-16H2,1-7H3/t17-,18+,21+,22?,23+,24-,25-,28+,29-,30-/m0/s1
• InChIKey: YRXIDKUVBPMNRA-MTFDIZHISA-N

Properties

• Density: 1.191g/cm³ (Cal.)
• Boiling point: 676.877°C at 760 mmHg (Cal.)
• Flash point: 279.862°C (Cal.)