Triploside A
[CAS# 141544-45-8]

Identification

• Name: Triploside A
• Synonyms: (4As,6Ar,6As,6Br,10S,12Ar,14Br)-2,2,6A,6B,9,9,12A-Heptamethyl-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-6-Methyl-3,4,5-Tris[[(2R,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Oxy]Tetrahydropyran-2-Yl]Oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4-[(2R,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid; (4As,6Ar,6As,6Br,10S,12Ar,14Br)-2,2,6A,6B,9,9,12A-Heptamethyl-10-[[(2S,3R,4S,5S)-3-[[(2S,3R,4R,5S,6S)-6-Methyl-3,4,5-Tris[[(2R,3R,4S,5R)-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-5-[[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-4-[[(2R,3R,4S,5R)-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid; (4As,6Ar,6As,6Br,10S,12Ar,14Br)-2,2,6A,6B,9,9,12A-Heptamethyl-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-6-Methyl-3,4,5-Tris[[(2R,3R,4S,5R)-3,4,5-Trihydroxyoxan-2-Yl]Oxy]Oxan-2-Yl]Oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Oxan-2-Yl]Oxy-4-[(2R,3R,4S,5R)-3,4,5-Trihydroxyoxan-2-Yl]Oxy-Oxan-2-Yl]Oxy-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid
• Molecular Formula: C₆₇H₁₀₈O₃₁
• Molecular Weight: 1409.57
• CAS Registry Number: 141544-45-8
• SMILES: [C@@]9%10([C@@H]([C@@]8(C(C([C@@H](O[C@@H]3OC[C@H](O[C@@H]1O[C@H]([C@H](O)[C@@H](O)[C@H]1O)C)[C@H](O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]3O[C@@H]6O[C@H]([C@H](O[C@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O[C@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H]6O[C@H]7OC[C@@H](O)[C@H](O)[C@H]7O)C)CC8)(C)C)CC9)C)CC=C%11[C@]%10(CC[C@@]%12([C@@H]%11CC(CC%12)(C)C)C(=O)O)C)C
• InChI: 1S/C67H108O31/c1-26-38(72)43(77)48(82)58(90-26)92-34-25-89-59(93-37-13-14-64(7)35(63(37,5)6)12-15-66(9)36(64)11-10-28-29-20-62(3,4)16-18-67(29,61(83)84)19-17-65(28,66)8)52(50(34)95-55-45(79)40(74)31(69)22-86-55)98-60-53(97-57-47(81)42(76)33(71)24-88-57)51(96-56-46(80)41(75)32(70)23-87-56)49(27(2)91-60)94-54-44(78)39(73)30(68)21-85-54/h10,26-27,29-60,68-82H,11-25H2,1-9H3,(H,83,84)/t26-,27-,29+,30+,31+,32+,33+,34-,35?,36+,37-,38-,39-,40-,41-,42-,43+,44+,45+,46+,47+,48+,49-,50-,51+,52+,53+,54+,55+,56+,57+,58-,59-,60-,64-,65+,66+,67-/m0/s1
• InChIKey: RWYIWNDILZQARP-BTQNDNPRSA-N

Properties

• Density: 1.51g/cm³ (Cal.)