(2α,3β,5ξ,9ξ,12β)-20-{[6-O-(Carboxyacetyl)-β-D-glucopyranosyl]oxy}-2,12-dihydroxydammar-24-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside

More details:

• Systematic name

  (2alpha,3beta,5xi,9xi,12beta)-20-{[6-O-(Carboxyacetyl)-beta-D-glucopyranosyl]oxy}-2,12-dihydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside

• SMILES

  CC1(C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)C[C@@]2(C)C1CC[C@]1(C)C2C[C@@H](O)[C@@H]2[C@H](CC[C@@]12C)[C@](C)(CCC=C(C)C)O[C@@H]1O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]1O

• Std. InChi

  InChI=1S/C51H84O22/c1-22(2)10-9-13-51(8,73-45-41(66)38(63)36(61)28(70-45)21-67-32(58)17-31(56)57)23-11-14-50(7)33(23)24(54)16-30-48(5)18-25(55)43(47(3,4)29(48)12-15-49(30,50)6)72-46-42(39(64)35(60)27(20-53)69-46)71-44-40(65)37(62)34(59)26(19-52)68-44/h10,23-30,33-46,52-55,59-66H,9,11-21H2,1-8H3,(H,56,57)/t23-,24+,25+,26+,27+,28+,29?,30?,33-,34+,35+,36+,37-,38-,39-,40+,41+,42+,43-,44-,45-,46-,48-,49+,50+,51-/m0/s1

• Std. InChIKey

  HJCWLLDTRRLTHU-HIRJKMRHSA-N

• Cite this record

  CSID:114928691, http://www.chemspider.com/Chemical-Structure.114928691.html (accessed 01:05, Apr 28, 2024)