(1β,3β,5α,16β,22S)-1-[(6-Deoxy-α-L-mannopyranosyl)oxy]-3,22-dihydroxycholestan-16-yl β-D-glucopyranoside

More details:

• Systematic name

  (2R,3R,4R,5R,6S)-2-[[(1R,3R,5S,8S,9S,10S,13S,14S,16S,17R)-3-hydroxy-17-[(1S,2S)-2-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-16-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]oxy]-6-methyl-tetrahydropyran-3,4,5-triol

• SMILES

  C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2C[C@@H](C[C@H]3[C@]2([C@H]4CC[C@]5([C@H]([C@@H]4CC3)C[C@@H]([C@@H]5[C@H](C)[C@H](CCC(C)C)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)O)O)O

• Std. InChi

  InChI=1S/C39H68O13/c1-17(2)7-10-25(42)18(3)29-26(50-37-35(48)33(46)31(44)27(16-40)51-37)15-24-22-9-8-20-13-21(41)14-28(39(20,6)23(22)11-12-38(24,29)5)52-36-34(47)32(45)30(43)19(4)49-36/h17-37,40-48H,7-16H2,1-6H3/t18-,19+,20+,21-,22-,23+,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34-,35-,36+,37-,38+,39+/m1/s1

• Std. InChIKey

  XWYZBVLUVOCIOL-PQKRKDDCSA-N

• Cite this record

  CSID:24713488, http://www.chemspider.com/Chemical-Structure.24713488.html (accessed 05:33, Apr 20, 2024)