(2beta,3beta)-2,3,27-Trihydroxyolean-12-Ene-23,28-Dioic Acid
[CAS# 2163-40-8]

Identification

• Name: (2beta,3beta)-2,3,27-Trihydroxyolean-12-Ene-23,28-Dioic Acid
• Synonyms: presenegenin
• Molecular Formula: C₃₀H₄₆O₇
• Molecular Weight: 518.68
• CAS Registry Number: 2163-40-8
• SMILES: OC(=O)[C@]5(C)[C@@H](O)[C@@H](O)C[C@@]4(C)[C@H]5CC[C@]3(C)[C@@H]4C\C=C1/[C@@]3(CO)CC[C@]2(CC[C@@](C)(C)C[C@@H]12)C(O)=O
• InChI: 1S/C30H46O7/c1-25(2)10-11-29(24(36)37)12-13-30(16-31)17(18(29)14-25)6-7-20-26(3)15-19(32)22(33)28(5,23(34)35)21(26)8-9-27(20,30)4/h6,18-22,31-33H,7-16H2,1-5H3,(H,34,35)(H,36,37)/t18-,19-,20+,21+,22-,26+,27+,28-,29-,30-/m0/s1
• InChIKey: VGTALXLMFZXQSK-XIZCRSLYSA-N

Properties

• Density: 1.284g/cm³ (Cal.)
• Boiling point: 676.148°C at 760 mmHg (Cal.)
• Flash point: 376.698°C (Cal.)
• Refractive index: 1.6 (Cal.)