(3β)-28-(β-D-Glucopyranosyloxy)lup-20(29)-en-3-yl β-D-glucopyranoside

More details:

• Systematic name

  (2R,3R,4S,5S,6R)-2-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

• SMILES

  CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O

• Std. InChi

  InChI=1S/C42H70O12/c1-21(2)22-10-15-42(20-51-36-34(49)32(47)30(45)24(18-43)52-36)17-16-40(6)23(29(22)42)8-9-27-39(5)13-12-28(38(3,4)26(39)11-14-41(27,40)7)54-37-35(50)33(48)31(46)25(19-44)53-37/h22-37,43-50H,1,8-20H2,2-7H3/t22-,23+,24+,25+,26-,27+,28-,29+,30+,31+,32-,33-,34+,35+,36+,37-,39-,40+,41+,42+/m0/s1

• Std. InChIKey

  WOWJNFXVCONMSV-NGZHEIBDSA-N

• Cite this record

  CSID:24713288, http://www.chemspider.com/Chemical-Structure.24713288.html (accessed 23:27, Apr 19, 2024)