(3beta,5xi,20beta)-3-Hydroxyursa-12,18-Dien-28-Oic Acid
[CAS# 6756-14-5]

Identification

• Name: (3beta,5xi,20beta)-3-Hydroxyursa-12,18-Dien-28-Oic Acid
• Synonyms: (20b)-3b-Hydroxyurs-12,18-dien-28-oic acid; (3β,5ξ,20β)-3-Hydroxyursa-12,18-dien-28-oic acid; (3β,5ξ,20β)-3-Hydroxyursa-12,18-dien-28-säure
• Molecular Formula: C₃₀H₄₆O₃
• Molecular Weight: 454.68
• CAS Registry Number: 6756-14-5
• SMILES: C[C@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C2=C1C)C)C(=O)O
• InChI: 1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18,21-23,31H,9-17H2,1-7H3,(H,32,33)/t18-,21?,22+,23-,27-,28+,29+,30-/m0/s1
• InChIKey: GPQBTLJRTQXVOM-JQDUULMYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 572.6±50.0°C at 760 mmHg (Cal.)
• Flash point: 314.1±26.6°C (Cal.)