21,22-Di-O-Angeloyl-R(1)-Barrigenol
[CAS# 92948-00-0]

Identification

• Name: 21,22-Di-O-Angeloyl-R(1)-Barrigenol
• Synonyms: (Z)-2-Methylbut-2-Enoic Acid [(3R,4R,4Ar,5S,6R,6Ar,6As,6Br,8Ar,10S,12Ar,14Bs)-5,6,10-Trihydroxy-4A-(Hydroxymethyl)-2,2,6A,6B,9,9,12A-Heptamethyl-4-[(E)-2-Methyl-1-Oxobut-2-Enoxy]-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicen-3-Yl] Ester; (Z)-2-Me
• Molecular Formula: C₄₀H₆₂O₈
• Molecular Weight: 670.93
• CAS Registry Number: 92948-00-0
• SMILES: [C@@]34([C@]2([C@@H]([C@@]1([C@H](C([C@@H](O)CC1)(C)C)CC2)C)CC=C3[C@H]5[C@@]([C@H](O)[C@@H]4O)([C@@H](OC(=O)C(=C/C)/C)[C@H](OC(=O)C(=C\C)/C)C(C5)(C)C)CO)C)C
• InChI: 1S/C40H62O8/c1-12-22(3)33(45)47-31-32(48-34(46)23(4)13-2)40(21-41)25(20-35(31,5)6)24-14-15-27-37(9)18-17-28(42)36(7,8)26(37)16-19-38(27,10)39(24,11)29(43)30(40)44/h12-14,25-32,41-44H,15-21H2,1-11H3/b22-12-,23-13+/t25-,26-,27+,28-,29-,30+,31-,32-,37-,38+,3
• InChIKey: FWXLVXABZRYLST-WGXYYQAWSA-N

Properties

• Density: 1.183g/cm³ (Cal.)
• Boiling point: 708.947°C at 760 mmHg (Cal.)
• Flash point: 204.798°C (Cal.)