(3beta,16alpha)-3-((4-O-alpha-L-arabinopyranosyl-alpha-L-arabinopyranosyl)oxy)-16-hydroxy-Olean-12-en-28-oic acid
[CAS# 137551-41-8]

Identification

• Name: (3beta,16alpha)-3-((4-O-alpha-L-arabinopyranosyl-alpha-L-arabinopyranosyl)oxy)-16-hydroxy-Olean-12-en-28-oic acid
• Synonyms: (4Ar,5R,6Ar,6As,6Br,10S,12Ar,14Br)-10-[(2S,3R,4R,5S)-3,4-Dihydroxy-5-[(2S,3R,4S,5S)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-5-Hydroxy-2,2,6A,6B,9,9,12A-Heptamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid; (4Ar,5R,6Ar,6As,6Br,10S,12Ar,14Br)-10-[[(2S,3R,4R,5S)-3,4-Dihydroxy-5-[[(2S,3R,4S,5S)-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-5-Hydroxy-2,2,6A,6B,9,9,12A-Heptamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid; (4Ar,5R,6Ar,6As,6Br,10S,12Ar,14Br)-10-[(2S,3R,4R,5S)-3,4-Dihydroxy-5-[(2S,3R,4S,5S)-3,4,5-Trihydroxyoxan-2-Yl]Oxy-Oxan-2-Yl]Oxy-5-Hydroxy-2,2,6A,6B,9,9,12A-Heptamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid
• Molecular Formula: C₄₀H₆₄O₁₂
• Molecular Weight: 736.94
• CAS Registry Number: 137551-41-8
• SMILES: [C@@]15([C@]6(C(=CC[C@@H]1[C@@]4(C(C([C@@H](O[C@@H]3OC[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]3O)CC4)(C)C)CC5)C)[C@@H]7[C@]([C@H](O)C6)(C(=O)O)CCC(C7)(C)C)C)C
• InChI: 1S/C40H64O12/c1-35(2)14-15-40(34(47)48)21(16-35)20-8-9-25-37(5)12-11-27(36(3,4)24(37)10-13-38(25,6)39(20,7)17-26(40)42)52-33-31(46)29(44)23(19-50-33)51-32-30(45)28(43)22(41)18-49-32/h8,21-33,41-46H,9-19H2,1-7H3,(H,47,48)/t21-,22+,23+,24?,25-,26-,27+,28+,29+,30-,31-,32+,33+,37+,38-,39-,40-/m1/s1
• InChIKey: DFBQUTBOVLBEHN-OOLIYSFKSA-N

Properties

• Density: 1.333g/cm³ (Cal.)
• Boiling point: 843.058°C at 760 mmHg (Cal.)
• Flash point: 250.632°C (Cal.)