(18alpha)-11-Oxo-alpha-Neooleana-3(5),12-Dien-30-Oic Acid Methyl Ester
[CAS# 5573-15-9]

Identification

• Name: (18alpha)-11-Oxo-alpha-Neooleana-3(5),12-Dien-30-Oic Acid Methyl Ester
• Synonyms: Methyl 11-Oxo-18-Alpha-A-Neo-Oleana-3,12-Dien-30-Oate
• Molecular Formula: C₃₁H₄₆O₃
• Molecular Weight: 466.70
• CAS Registry Number: 5573-15-9
• SMILES: [C@@]23([C@@H]([C@@]1(C(=C(CC1)C(C)C)CC2)C)C(=O)C=C4[C@]3(CC[C@@]5([C@@H]4C[C@](CC5)(C(OC)=O)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/h17,19,23,25H,9-16,18H2,1-8H3/t23-,25-,27-,28+,29+,30-,31-/m1/s1
• InChIKey: KLDHTSBPVUVXQQ-SBSPXKCJSA-N

Properties

• Density: 1.082g/cm³ (Cal.)
• Boiling point: 537.647°C at 760 mmHg (Cal.)
• Flash point: 224.557°C (Cal.)