11-Oxo-alpha-Neooleana-3,12-Dien-30-Oic Acid Methyl Ester
[CAS# 5092-03-5]

Identification

• Name: 11-Oxo-alpha-Neooleana-3,12-Dien-30-Oic Acid Methyl Ester
• Synonyms: Methyl 11-Oxo-18-Beta-A-Neo-Oleana-3,12-Dien-30-Oate
• Molecular Formula: C₃₁H₄₆O₃
• Molecular Weight: 466.70
• CAS Registry Number: 5092-03-5
• SMILES: [C@@H]14[C@]([C@]2(C(=CC1=O)[C@H]3[C@@](CC2)(CC[C@@](C3)(C(OC)=O)C)C)C)(CC[C@@H]5[C@@]4(CCC5=C(C)C)C)C
• InChI: 1S/C31H46O3/c1-19(2)20-9-11-29(5)21(20)10-12-31(7)25(29)24(32)17-22-23-18-28(4,26(33)34-8)14-13-27(23,3)15-16-30(22,31)6/h17,21,23,25H,9-16,18H2,1-8H3/t21-,23-,25+,27+,28-,29-,30+,31+/m0/s1
• InChIKey: BPOXOWMXPXPITE-OUPVPOPFSA-N

Properties

• Density: 1.082g/cm³ (Cal.)
• Boiling point: 535.96°C at 760 mmHg (Cal.)
• Flash point: 223.798°C (Cal.)