(3beta,4beta)-3,23-Dihydroxy-Olean-12-en-28-oic acid beta-D-glucopyranosyl ester
[CAS# 146728-78-1]

Identification

• Name: (3beta,4beta)-3,23-Dihydroxy-Olean-12-en-28-oic acid beta-D-glucopyranosyl ester
• Synonyms: [(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl] (4As,6Ar,6As,6Br,8Ar,9S,10S,12Ar,14Bs)-10-Hydroxy-9-(Hydroxymethyl)-2,2,6A,6B,9,12A-Hexamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylate; (4As,6Ar,6As,6Br,8Ar,9S,10S,12Ar,14Bs)-10-Hydroxy-9-(Hydroxymethyl)-2,2,6A,6B,9,12A-Hexamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid [(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl] Ester; (4As,6Ar,6As,6Br,8Ar,9S,10S,12Ar,14Bs)-10-Hydroxy-2,2,6A,6B,9,12A-Hexamethyl-9-Methylol-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid [(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl] Ester
• Molecular Formula: C₃₆H₅₈O₉
• Molecular Weight: 634.85
• CAS Registry Number: 146728-78-1
• SMILES: [C@@H]15[C@]([C@]2(C(=CC1)[C@H]4[C@](CC2)(C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)=O)CCC(C4)(C)C)C)(CC[C@@H]6[C@@]5(CC[C@H](O)[C@@]6(CO)C)C)C
• InChI: 1S/C36H58O9/c1-31(2)13-15-36(30(43)45-29-28(42)27(41)26(40)22(18-37)44-29)16-14-34(5)20(21(36)17-31)7-8-24-32(3)11-10-25(39)33(4,19-38)23(32)9-12-35(24,34)6/h7,21-29,37-42H,8-19H2,1-6H3/t21-,22+,23+,24+,25-,26+,27-,28+,29-,32-,33+,34+,35+,36-/m0/s1
• InChIKey: WJMMBVSOQPALFO-ZHMISSTASA-N

Properties

• Density: 1.279g/cm³ (Cal.)
• Boiling point: 729.654°C at 760 mmHg (Cal.)
• Flash point: 220.202°C (Cal.)