2,3,7,19-Tetrahydroxyurs-12-en-28-oic acid
[CAS# 108657-25-6]

Identification

• Name: 2,3,7,19-Tetrahydroxyurs-12-en-28-oic acid
• Synonyms: 2,3,7,19-Tetrahydroxyurs-12-En-28-Oic Acid; Urs-12-En-28-Oic Acid, 2,3,7,19-Tetrahydroxy-, (2Beta,3Alpha,7Beta)-
• Molecular Formula: C₃₀H₄₈O₆
• Molecular Weight: 504.71
• CAS Registry Number: 108657-25-6
• SMILES: [C@@]12([C@]4(C(=CC[C@@H]1[C@@]3(C(C[C@@H]2O)C([C@H](O)[C@H](O)C3)(C)C)C)[C@@H]5[C@](CC4)(C(=O)O)CC[C@H]([C@]5(O)C)C)C)C
• InChI: 1S/C30H48O6/c1-16-10-11-30(24(34)35)13-12-27(5)17(22(30)29(16,7)36)8-9-19-26(4)15-18(31)23(33)25(2,3)20(26)14-21(32)28(19,27)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18-,19-,20?,21+,22+,23-,26-,27-,28+,29-,30+/m1/s1
• InChIKey: OTMKLLGULDKXFS-DSZNRGTLSA-N

Properties

• Density: 1.236g/cm³ (Cal.)
• Boiling point: 634.699°C at 760 mmHg (Cal.)
• Flash point: 351.659°C (Cal.)