Dipsacus saponin C
[CAS# 152406-43-4]

Identification

• Name: Dipsacus saponin C
• Synonyms: (4As,6Ar,6As,6Br,10S,12Ar,14Br)-10-[(2S,3R,4S,5S)-4-[(2S,3R,4S,5R,6R)-5-Hydroxy-6-(Hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-4-[(2S,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-3,5-Bis[[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy]Tetrahydropyran-2-Yl]Oxy-9-(Hydroxymethyl)-2,2,6A,6B,9,12A-Hexamethyl-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)-10-[[(2S,3R,4S,5S)-4-[[(2S,3R,4S,5R,6R)-5-Hydroxy-6-(Hydroxymethyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-4-[[(2S,3R,4S,5R)-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-3,5-Bis[[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-9-(Hydroxymethyl)-2,2,6A,6B,9,12A-Hexamethyl-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)-10-[(2S,3R,4S,5S)-4-[(2S,3R,4S,5R,6R)-5-Hydroxy-6-Methylol-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-4-[(2S,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-3,5-Bis[[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy]Tetrahydropyran-2-Yl]Oxy-2,2,6A,6B,9,12A-Hexamethyl-9-Methylol-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid
• Molecular Formula: C₆₄H₁₀₄O₃₀
• Molecular Weight: 1353.51
• CAS Registry Number: 152406-43-4
• SMILES: [C@@]89([C@@H]([C@@]7(C(C([C@@H](O[C@@H]5OC[C@H](O[C@@H]1O[C@H]([C@H](O)[C@@H](O)[C@H]1O)C)[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]3O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)CO)[C@H]5O[C@@H]6O[C@H]([C@H](O)[C@@H](O)[C@H]6O)C)CC7)(CO)C)CC8)C)CC=C%10[C@]9(CC[C@@]%11([C@@H]%10CC(CC%11)(C)C)C(=O)O)C)C
• InChI: 1S/C64H104O30/c1-25-36(69)41(74)45(78)53(85-25)89-32-23-84-56(90-35-12-13-60(5)33(61(35,6)24-67)11-14-63(8)34(60)10-9-27-28-19-59(3,4)15-17-64(28,58(81)82)18-16-62(27,63)7)50(93-54-46(79)42(75)37(70)26(2)86-54)48(32)91-57-51(94-55-47(80)43(76)39(72)30(20-65)87-55)49(40(73)31(21-66)88-57)92-52-44(77)38(71)29(68)22-83-52/h9,25-26,28-57,65-80H,10-24H2,1-8H3,(H,81,82)/t25-,26-,28+,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-,60-,61?,62+,63+,64-/m0/s1
• InChIKey: DZWAZSYNHVCJRX-CZMUHZJFSA-N