Glucosyl 23-formyl-2,3,19-trihydroxyurs-12-en-28-oate
[CAS# 158848-20-5]

Identification

• Name: Glucosyl 23-formyl-2,3,19-trihydroxyurs-12-en-28-oate
• Synonyms: [(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl] (1R,2R,4As,6Ar,6As,6Br,8Ar,9S,10R,11R,12Ar,14Bs)-9-Formyl-1,10,11-Trihydroxy-1,2,6A,6B,9,12A-Hexamethyl-2,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylate; (1R,2R,4As,6Ar,6As,6Br,8Ar,9S,10R,11R,12Ar,14Bs)-9-Formyl-1,10,11-Trihydroxy-1,2,6A,6B,9,12A-Hexamethyl-2,3,4,5,6,6A,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; (1R,2R,4As,6Ar,6As,6Br,8Ar,9S,10R,11R,12Ar,14Bs)-9-Formyl-1,10,11-Trihydroxy-1,2,6A,6B,9,12A-Hexamethyl-2,3,4,5,6,6A,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: C₃₆H₅₆O₁₁
• Molecular Weight: 664.83
• CAS Registry Number: 158848-20-5
• SMILES: [C@@H]1([C@@H]([C@@]([C@H]2[C@](C1)([C@@H]3[C@@](CC2)([C@]4(C(=CC3)[C@H]5[C@@](CC4)(CC[C@H]([C@@]5(C)O)C)C(O[C@@H]6O[C@@H]([C@H]([C@@H]([C@H]6O)O)O)CO)=O)C)C)C)(C)C=O)O)O
• InChI: 1S/C36H56O11/c1-18-9-12-36(30(44)47-29-26(42)25(41)24(40)21(16-37)46-29)14-13-33(4)19(27(36)35(18,6)45)7-8-23-31(2)15-20(39)28(43)32(3,17-38)22(31)10-11-34(23,33)5/h7,17-18,20-29,37,39-43,45H,8-16H2,1-6H3/t18-,20-,21-,22-,23-,24-,25+,26-,27-,28+,29+,31+,32+,33-,34-,35-,36+/m1/s1
• InChIKey: YZANFWDKMDESHV-JVJIQXRHSA-N

Properties

• Density: 1.353g/cm³ (Cal.)
• Boiling point: 767.753°C at 760 mmHg (Cal.)
• Flash point: 232.829°C (Cal.)