(2S,3S,4R,5R,6R)-6-[[(2S,3R,4R,4aR,6aR,6bS,8aS,12aR,14aR,14bR)-2-hydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylic acid

More details:

• Systematic name

  (2S,3S,4R,5R,6R)-6-[[(2S,3R,4R,4aR,6aR,6bS,8aS,12aR,14aR,14bR)-2-hydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylic acid

• SMILES

  O=C(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)[C@@]86[C@@H](/C5=C/C[C@@H]4[C@@]7(C)C[C@H](O)[C@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]3O)[C@@](C)(CO)[C@@H]7CC[C@@]4(C)[C@]5(C)CC6)CC(C)(C)CC8

• Std. InChi

  InChI=1S/C48H76O21/c1-43(2)11-13-48(42(63)69-40-33(59)30(56)28(54)24(18-50)65-40)14-12-46(5)20(21(48)15-43)7-8-26-44(3)16-22(52)37(45(4,19-51)25(44)9-10-47(26,46)6)68-41-34(60)31(57)35(36(67-41)38(61)62)66-39-32(58)29(55)27(53)23(17-49)64-39/h7,21-37,39-41,49-60H,8-19H2,1-6H3,(H,61,62)/t21-,22+,23-,24-,25-,26-,27+,28-,29+,30+,31-,32-,33-,34-,35+,36+,37+,39+,40+,41+,44+,45+,46-,47-,48+/m1/s1

• Std. InChIKey

  SQVBXHAEJALFEQ-LLHCKJCJSA-N

• Cite this record

  CSID:8971344, http://www.chemspider.com/Chemical-Structure.8971344.html (accessed 15:21, Apr 25, 2024)