6-[(11-Carboxy-14b-Formyl-4,4,6a,6b,8a,11-Hexamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-Tetradecahydropicen-3-Yl)Oxy]-3,4-Dihydroxy-5-(3,4,5-Trihydroxyoxan-2-Yl)Oxyoxane-2-Carboxylic Acid
[CAS# 152464-84-1]

Identification

• Name: 6-[(11-Carboxy-14b-Formyl-4,4,6a,6b,8a,11-Hexamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-Tetradecahydropicen-3-Yl)Oxy]-3,4-Dihydroxy-5-(3,4,5-Trihydroxyoxan-2-Yl)Oxyoxane-2-Carboxylic Acid
• Synonyms: 6-[(11-Carboxy-14B-Formyl-4,4,6A,6B,8A,11-Hexamethyl-1,2,3,4A,5,6,6A,7,8,9,10,13,14,14A-Tetradecahydropicen-3-Yl)Oxy]-3,4-Dihydroxy-5-(3,4,5-Trihydroxytetrahydropyran-2-Yl)Oxy-Tetrahydropyran-2-Carboxylic Acid; 6-[(11-Carboxy-14B-Formyl-4,4,6A,6B,8A,11-Hexamethyl-1,2,3,4A,5,6,6A,7,8,9,10,13,14,14A-Tetradecahydropicen-3-Yl)Oxy]-3,4-Dihydroxy-5-[(3,4,5-Trihydroxy-2-Tetrahydropyranyl)Oxy]-2-Tetrahydropyrancarboxylic Acid; 6-[(11-Carboxy-14B-Methanoyl-4,4,6A,6B,8A,11-Hexamethyl-1,2,3,4A,5,6,6A,7,8,9,10,13,14,14A-Tetradecahydropicen-3-Yl)Oxy]-3,4-Dihydroxy-5-(3,4,5-Trihydroxyoxan-2-Yl)Oxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₄₁H₆₂O₁₄
• Molecular Weight: 778.93
• CAS Registry Number: 152464-84-1
• SMILES: CC57C2(C(C1(CCC(C(C1CC2)(C)C)OC3C(C(C(C(C(=O)O)O3)O)O)OC4C(C(O)C(CO4)O)O)C=O)CCC5C6=CC(C(=O)O)(CCC6(C)CC7)C)C
• InChI: 1S/C41H62O14/c1-36(2)23-9-11-40(6)24(8-7-20-21-17-38(4,35(50)51)14-13-37(21,3)15-16-39(20,40)5)41(23,19-42)12-10-25(36)53-34-31(28(46)27(45)30(54-34)32(48)49)55-33-29(47)26(44)22(43)18-52-33/h17,19-20,22-31,33-34,43-47H,7-16,18H2,1-6H3,(H,48,49)(H,50,51)
• InChIKey: OHGFKHHCPIGSKE-UHFFFAOYSA-N

Properties

• Density: 1.385g/cm³ (Cal.)
• Boiling point: 900.762°C at 760 mmHg (Cal.)
• Flash point: 267.795°C (Cal.)