24-Hydroxy-22beta-[[(Z)-2-Methyl-1-Oxo-2-Butenyl]Oxy]-3-Oxo-Olean-12-En-28-Oic Acid
[CAS# 561-47-7]

Identification

• Name: 24-Hydroxy-22beta-[[(Z)-2-Methyl-1-Oxo-2-Butenyl]Oxy]-3-Oxo-Olean-12-En-28-Oic Acid
• Synonyms: (4R,4As,6Ar,6As,6Br,9S,12Ar,14Br)-9-(Hydroxymethyl)-2,2,6A,6B,9,12A-Hexamethyl-4-[(E)-2-Methyl-1-Oxobut-2-Enoxy]-10-Oxo-3,4,5,6,6A,7,8,8A,11,12,13,14B-Dodecahydro-1H-Picene-4A-Carboxylic Acid; (4R,4As,6Ar,6As,6Br,9S,12Ar,14Br)-10-Keto-2,2,6A,6B,9,12A-Hexamethyl-4-[(E)-2-Methylbut-2-Enoyl]Oxy-9-Methylol-3,4,5,6,6A,7,8,8A,11,12,13,14B-Dodecahydro-1H-Picene-4A-Carboxylic Acid; Olean-12-En-28-Oic Acid, 22Beta,24-Dihydroxy-3-Oxo-, 22-(2-Methylcrotonate), (Z)-
• Molecular Formula: C₃₅H₅₂O₆
• Molecular Weight: 568.79
• CAS Registry Number: 561-47-7
• SMILES: [C@@]13([C@]4(C(=CC[C@@H]1[C@@]2(C([C@](C(=O)CC2)(CO)C)CC3)C)[C@@H]5[C@@](CC4)([C@H](OC(=O)C(=C/C)/C)CC(C5)(C)C)C(=O)O)C)C
• InChI: 1S/C35H52O6/c1-9-21(2)28(38)41-27-19-30(3,4)18-23-22-10-11-25-31(5)14-13-26(37)32(6,20-36)24(31)12-15-34(25,8)33(22,7)16-17-35(23,27)29(39)40/h9-10,23-25,27,36H,11-20H2,1-8H3,(H,39,40)/b21-9+/t23-,24?,25-,27-,31+,32-,33-,34-,35+/m1/s1
• InChIKey: NZQARWYKOBSGNY-SBVVXQNQSA-N

Properties

• Density: 1.166g/cm³ (Cal.)
• Boiling point: 659.393°C at 760 mmHg (Cal.)
• Flash point: 199.6°C (Cal.)