beta-Amyrin
[CAS# 6813-59-8]

Identification

• Name: beta-Amyrin
• Synonyms: (3S,6Ar,6Bs,8As,11R,12As,14Ar,14Br)-4,4,6A,6B,8A,11,14B-Heptamethyl-11-Methylol-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-Tetradecahydropicen-3-Ol; Olean-12-Ene-3-Beta,30-Diol; Beta-Amyrin, 30-Hydroxy-
• Molecular Formula: C₃₀H₅₀O₂
• Molecular Weight: 442.72
• CAS Registry Number: 6813-59-8
• SMILES: [C@@]23([C@@H]([C@@]1(C(C([C@@H](O)CC1)(C)C)CC2)C)CC=C4[C@]3(CC[C@@]5([C@@H]4C[C@@](CC5)(CO)C)C)C)C
• InChI: 1S/C30H50O2/c1-25(2)22-10-13-30(7)23(28(22,5)12-11-24(25)32)9-8-20-21-18-26(3,19-31)14-15-27(21,4)16-17-29(20,30)6/h8,21-24,31-32H,9-19H2,1-7H3/t21-,22?,23-,24+,26-,27-,28+,29-,30-/m1/s1
• InChIKey: OYONPFUYHNGECE-BIWTVBKBSA-N

Properties

• Density: 1.059g/cm³ (Cal.)
• Boiling point: 524.835°C at 760 mmHg (Cal.)
• Flash point: 212.209°C (Cal.)