(3β,10α,17α,20β)-19-Hydroxy-3-{[(2ξ)-2-O-(α-D-mannopyranosyl)-α-D-threo-pentopyranosyl]oxy}urs-12-en-28-oic acid

More details:

• Systematic name

  (3beta,10alpha,17alpha,20beta)-19-Hydroxy-3-{[(2xi)-2-O-(alpha-D-mannopyranosyl)-alpha-D-threo-pentopyranosyl]oxy}urs-12-en-28-oic acid

• SMILES

  CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@H]5[C@](CC[C@@]34C)(CC[C@H](C)[C@@]5(C)O)C(O)=O)[C@]2(C)CC[C@@H]1O[C@H]1OC[C@@H](O)[C@H](O)C1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O

• Std. InChi

  InChI=1S/C41H66O13/c1-20-10-15-41(35(48)49)17-16-38(5)21(32(41)40(20,7)50)8-9-25-37(4)13-12-26(36(2,3)24(37)11-14-39(25,38)6)53-34-31(27(44)22(43)19-51-34)54-33-30(47)29(46)28(45)23(18-42)52-33/h8,20,22-34,42-47,50H,9-19H2,1-7H3,(H,48,49)/t20-,22+,23+,24-,25+,26-,27-,28+,29-,30-,31?,32+,33+,34+,37+,38+,39+,40+,41+/m0/s1

• Std. InChIKey

  WBDDWIKJZNNKBQ-YHFGTUKFSA-N

• Cite this record

  CSID:113609362, http://www.chemspider.com/Chemical-Structure.113609362.html (accessed 14:32, May 17, 2024)