(3β,25R)-26-(β-D-Glucopyranosyloxy)-16,22-dioxocholest-5-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-glucopyranoside

More details:

• Systematic name

  (3beta,25R)-26-(beta-D-Glucopyranosyloxy)-16,22-dioxocholest-5-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranoside

• SMILES

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

• Std. InChi

  InChI=1S/C51H82O23/c1-20(19-67-46-41(64)39(62)35(58)30(16-52)70-46)6-9-28(55)21(2)33-29(56)15-27-25-8-7-23-14-24(10-12-50(23,4)26(25)11-13-51(27,33)5)69-49-45(74-47-42(65)38(61)34(57)22(3)68-47)44(37(60)32(18-54)72-49)73-48-43(66)40(63)36(59)31(17-53)71-48/h7,20-22,24-27,30-49,52-54,57-66H,6,8-19H2,1-5H3/t20-,21-,22+,24+,25-,26+,27+,30-,31-,32-,33+,34+,35-,36-,37-,38-,39+,40+,41-,42-,43-,44+,45-,46-,47+,48+,49-,50+,51+/m1/s1

• Std. InChIKey

  PUMLSVQCWBEWES-JHGWTWDMSA-N

• Cite this record

  CSID:9403597, http://www.chemspider.com/Chemical-Structure.9403597.html (accessed 14:02, May 6, 2024)