(2R,4aR,6aR,6aS,6bR,9R,10S,12aR,14bR)-9-(Hydroxymethyl)-2,6a,6b,9,12a-Pentamethyl-10-[(2S,3R,4S,5R)-3,4,5-Trihydroxyoxan-2-Yl]Oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-Tetradecahydropicene-2,4a-Dicarboxylic Acid
[CAS# 139198-58-6]

Identification

• Name: (2R,4aR,6aR,6aS,6bR,9R,10S,12aR,14bR)-9-(Hydroxymethyl)-2,6a,6b,9,12a-Pentamethyl-10-[(2S,3R,4S,5R)-3,4,5-Trihydroxyoxan-2-Yl]Oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-Tetradecahydropicene-2,4a-Dicarboxylic Acid
• Synonyms: (2R,4Ar,6Ar,6As,6Br,9R,10S,12Ar,14Br)-9-(Hydroxymethyl)-2,6A,6B,9,12A-Pentamethyl-10-[(2S,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Oxy-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-2,4A-Dicarboxylic Acid; (2R,4Ar,6Ar,6As,6Br,9R,10S,12Ar,14Br)-9-(Hydroxymethyl)-2,6A,6B,9,12A-Pentamethyl-10-[[(2S,3R,4S,5R)-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxy]-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-2,4A-Dicarboxylic Acid; (2R,4Ar,6Ar,6As,6Br,9R,10S,12Ar,14Br)-2,6A,6B,9,12A-Pentamethyl-9-Methylol-10-[(2S,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Oxy-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-2,4A-Dicarboxylic Acid
• Molecular Formula: C₃₅H₅₄O₁₀
• Molecular Weight: 634.81
• CAS Registry Number: 139198-58-6
• SMILES: [C@@H]1(CC[C@]4(C([C@@]1(CO)C)CC[C@@]5(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@@](C)(C(=O)O)C[C@@H]2C3=CC[C@H]45)C)O[C@H]6[C@H](O)[C@@H](O)[C@H](O)CO6
• InChI: 1S/C35H54O10/c1-30(28(40)41)12-14-35(29(42)43)15-13-33(4)19(20(35)16-30)6-7-23-31(2)10-9-24(45-27-26(39)25(38)21(37)17-44-27)32(3,18-36)22(31)8-11-34(23,33)5/h6,20-27,36-39H,7-18H2,1-5H3,(H,40,41)(H,42,43)/t20-,21-,22?,23-,24+,25+,26-,27+,30-,31+,32+,33-,34-,35+/m1/s1
• InChIKey: MMUZCGDUYFPTGC-SVVMJXLASA-N

Properties

• Density: 1.333g/cm³ (Cal.)
• Boiling point: 782.956°C at 760 mmHg (Cal.)
• Flash point: 241.568°C (Cal.)