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

More details:

• Systematic name

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

• SMILES

  O=C(O)[C@]2(C)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)C[C@@]8(C)C2CC[C@]7(C)C8C/C=C6/C5CC(C)(C)CC[C@]5(C(=O)O[C@@H]4O[C@H](CO[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@]67C

• Std. InChi

  InChI=1S/C48H76O21/c1-43(2)11-13-48(42(63)69-40-36(60)33(57)30(54)25(67-40)19-64-38-34(58)31(55)28(52)23(17-49)65-38)14-12-45(4)20(21(48)15-43)7-8-26-44(3)16-22(51)37(47(6,41(61)62)27(44)9-10-46(26,45)5)68-39-35(59)32(56)29(53)24(18-50)66-39/h7,21-40,49-60H,8-19H2,1-6H3,(H,61,62)/t21?,22-,23+,24+,25+,26?,27?,28+,29+,30+,31-,32-,33-,34+,35+,36+,37-,38+,39-,40-,44+,45+,46+,47-,48-/m0/s1

• Std. InChIKey

  IFAFXSQFSWYJGN-ROVWEBCKSA-N

• Cite this record

  CSID:8947640, http://www.chemspider.com/Chemical-Structure.8947640.html (accessed 07:09, Apr 24, 2024)