O-Palmityllongispinogenin
[CAS# 122249-95-0]

Identification

• Name: O-Palmityllongispinogenin
• Synonyms: Hexadecanoic Acid [(3S,6Ar,6Bs,8S,8As,12Ar,14Ar,14Br)-8-Hydroxy-8A-(Hydroxymethyl)-4,4,6A,6B,11,11,14B-Heptamethyl-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-Tetradecahydropicen-3-Yl] Ester; Palmitic Acid [(3S,6Ar,6Bs,8S,8As,12Ar,14Ar,14Br)-8-Hydroxy-4,4,6A,6B,11,11,14B-Heptamethyl-8A-Methylol-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-Tetradecahydropicen-3-Yl] Ester; O-Palmityllongispinogenin
• Molecular Formula: C₄₆H₈₀O₄
• Molecular Weight: 697.14
• CAS Registry Number: 122249-95-0
• SMILES: [C@@]13([C@]4(C(=CC[C@@H]1[C@@]2(C(C([C@@H](OC(=O)CCCCCCCCCCCCCCC)CC2)(C)C)CC3)C)[C@@H]5[C@@]([C@@H](O)C4)(CCC(C5)(C)C)CO)C)C
• InChI: 1S/C46H80O4/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-40(49)50-39-26-27-43(6)36(42(39,4)5)25-28-44(7)37(43)24-23-34-35-31-41(2,3)29-30-46(35,33-47)38(48)32-45(34,44)8/h23,35-39,47-48H,9-22,24-33H2,1-8H3/t35-,36?,37-,38+,39+,43+,44-,45-,46-/m1/s1
• InChIKey: OPGQHWKKODQISN-ZWJGQMMPSA-N

Properties

• Density: 1.028g/cm³ (Cal.)
• Boiling point: 707.607°C at 760 mmHg (Cal.)
• Flash point: 193.077°C (Cal.)