(3beta)-3-((6-Deoxy-alpha-L-galactopyranosyl)oxy)-Urs-12-ene-27,28-dioic acid
[CAS# 79982-61-9]

Identification

• Name: (3beta)-3-((6-Deoxy-alpha-L-galactopyranosyl)oxy)-Urs-12-ene-27,28-dioic acid
• Synonyms: (1S,2R,4As,6Ar,6Ar,6Br,10S,12Ar,14Br)-1,2,6B,9,9,12A-Hexamethyl-10-[(2R,3S,4R,5S,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-2,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydro-1H-Picene-4A,6A-Dicarboxylic Acid; (1S,2R,4As,6Ar,6Ar,6Br,10S,12Ar,14Br)-1,2,6B,9,9,12A-Hexamethyl-10-[[(2R,3S,4R,5S,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-2,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydro-1H-Picene-4A,6A-Dicarboxylic Acid; (1S,2R,4As,6Ar,6Ar,6Br,10S,12Ar,14Br)-1,2,6B,9,9,12A-Hexamethyl-10-[(2R,3S,4R,5S,6S)-3,4,5-Trihydroxy-6-Methyl-Oxan-2-Yl]Oxy-2,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydro-1H-Picene-4A,6A-Dicarboxylic Acid
• Molecular Formula: C₃₆H₅₆O₉
• Molecular Weight: 632.83
• CAS Registry Number: 79982-61-9
• SMILES: [C@@]45([C@]3([C@@H]([C@@]2(C(C([C@@H](O[C@@H]1O[C@H]([C@@H](O)[C@@H](O)[C@@H]1O)C)CC2)(C)C)CC3)C)CC=C4[C@@H]6[C@](CC5)(C(=O)O)CC[C@H]([C@@H]6C)C)C)C(=O)O
• InChI: 1S/C36H56O9/c1-18-10-15-35(30(40)41)16-17-36(31(42)43)21(25(35)19(18)2)8-9-23-33(6)13-12-24(32(4,5)22(33)11-14-34(23,36)7)45-29-28(39)27(38)26(37)20(3)44-29/h8,18-20,22-29,37-39H,9-17H2,1-7H3,(H,40,41)(H,42,43)/t18-,19+,20+,22?,23-,24+,25-,26-,27-,28+,29+,33+,34-,35+,36-/m1/s1
• InChIKey: PUOQHFWXBKTHST-PYIBBUTPSA-N

Properties

• Density: 1.274g/cm³ (Cal.)
• Boiling point: 753.263°C at 760 mmHg (Cal.)
• Flash point: 229.519°C (Cal.)