Sandrosaponin X

More details:

• Systematic name

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

• SMILES

  O=C(O)[C@@]82[C@H](/C1=C/C[C@H]7[C@](C)([C@]1(C)CC2)CC[C@@H]6[C@]7(C)CC[C@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)C6(C)C)CC(C)(C)CC8

• Std. InChi

  InChI=1S/C48H76O19/c1-43(2)14-16-48(42(60)61)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-37(33(56)32(55)35(65-41)38(58)59)67-40-36(31(54)29(52)24(20-50)63-40)66-39-34(57)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-57H,9-20H2,1-7H3,(H,58,59)(H,60,61)/t22-,23+,24+,25-,26+,27-,28+,29-,30-,31-,32-,33-,34+,35-,36+,37+,39-,40-,41+,45-,46+,47+,48-/m0/s1

• Std. InChIKey

  PPXSTGDJSPLJCV-TVPPXOBLSA-N

• Cite this record

  CSID:8733227, http://www.chemspider.com/Chemical-Structure.8733227.html (accessed 04:40, Apr 25, 2024)