3,22-Dihydroxy-11-Oxo-delta(12)-Oleanene-27-alpha-Methoxycarbonyl-29-Oic Acid
[CAS# 123914-44-3]

Identification

• Name: 3,22-Dihydroxy-11-Oxo-delta(12)-Oleanene-27-alpha-Methoxycarbonyl-29-Oic Acid
• Synonyms: Olean-12-Ene-27,29-Dioic Acid, 3,22-Dihydroxy-11-Oxo-, Gamma-Lactone, Methyl Ester, (3Beta,20Alpha,22Alpha)-
• Molecular Formula: C₃₁H₄₄O₆
• Molecular Weight: 512.69
• CAS Registry Number: 123914-44-3
• SMILES: [C@H]1(O)CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2C(C=C4[C@]3(CC[C@@]5([C@H]4C[C@@]6(C[C@H]5OC6=O)C)C)C(OC)=O)=O)C)C
• InChI: 1S/C31H44O6/c1-26(2)20-8-11-30(6)23(29(20,5)10-9-21(26)33)19(32)14-17-18-15-27(3)16-22(37-24(27)34)28(18,4)12-13-31(17,30)25(35)36-7/h14,18,20-23,33H,8-13,15-16H2,1-7H3/t18-,20-,21-,22+,23+,27+,28+,29-,30+,31+/m0/s1
• InChIKey: MKDSBDQLSLPNOQ-YDJDNKAXSA-N

Properties

• Density: 1.218g/cm³ (Cal.)
• Boiling point: 626.36°C at 760 mmHg (Cal.)
• Flash point: 198.013°C (Cal.)