Barringtogenol C
[CAS# 13844-01-4]

Identification

• Name: Barringtogenol C
• Synonyms: (3R,4R,4Ar,5R,6Ar,6As,6Br,8Ar,10S,12Ar,14Bs)-2,2,6A,6B,9,9,12A-Heptamethyl-4A-Methylol-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-3,4,5,10-Tetrol; Jegosapogenol; Jegosapogenol A
• Molecular Formula: C₃₀H₅₀O₅
• Molecular Weight: 490.72
• CAS Registry Number: 13844-01-4 (17304-24-4)
• SMILES: [C@@]45([C@H](C3=CC[C@@H]2[C@]1(CC[C@@H](C([C@@H]1CC[C@]2([C@@]3(C[C@H]4O)C)C)(C)C)O)C)CC([C@H]([C@@H]5O)O)(C)C)CO
• InChI: 1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(33)30(18,16-31)24(35)23(25)34/h8,18-24,31-35H,9-16H2,1-7H3/t18-,19-,20+,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1
• InChIKey: AYDKOFQQBHRXEW-AAUPIIFFSA-N

Properties

• Density: 1.192g/cm³ (Cal.)
• Boiling point: 598.361°C at 760 mmHg (Cal.)
• Flash point: 245.513°C (Cal.)