(2R)-2-Acetoxy-3-{[(17R)-17-{[6-O-acetyl-β-D-glucopyranosyl-(1->2)-6-O-acetyl-β-D-glucopyranosyl-(1->2)-3,4,6-tri-O-acetyl-β-D-glucopyranosyl-(1->4)-2,3,6-tri-O-acetyl-β-D-glucopyranosyl-( 1->4)-[3,4,6-tri-O-acetyl-β-D-glucopyranosyl-(1->2)]-β-D-glucopyranosyl]oxy}icosyl]oxy}propanoic acid

More details:

• Systematic name

  (2R)-2-Acetoxy-3-{[(17R)-17-{[6-O-acetyl-beta-D-glucopyranosyl-(1->2)-6-O-acetyl-beta-D-glucopyranosyl-(1->2)-3,4,6-tri-O-acetyl-beta-D-glucopyranosyl-(1->4)-2,3,6-tri-O-acetyl-beta-D-glucopyranosyl-( 1->4)-[3,4,6-tri-O-acetyl-beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranosyl]oxy}icosyl]oxy}propanoic acid

• SMILES

  CCC[C@H](CCCCCCCCCCCCCCCCOC[C@H](C(=O)O)OC(=O)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)O)O)O)OC(=O)C)OC(=O)C)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C)OC(=O)C)OC(=O)C)O

• Std. InChi

  InChI=1S/C83H130O47/c1-14-29-51(30-27-25-23-21-19-17-15-16-18-20-22-24-26-28-31-106-33-58(77(104)105)112-44(7)90)119-80-72(129-79-65(103)70(115-47(10)93)67(113-45(8)91)55(123-79)36-109-41(4)87)64(102)66(52(32-84)120-80)126-82-75(118-50(13)96)74(117-49(12)95)69(57(125-82)38-111-43(6)89)127-83-76(73(116-48(11)94)68(114-46(9)92)56(124-83)37-110-42(5)88)130-81-71(62(100)60(98)54(122-81)35-108-40(3)86)128-78-63(101)61(99)59(97)53(121-78)34-107-39(2)85/h51-76,78-84,97-103H,14-38H2,1-13H3,(H,104,105)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61+,62+,63-,64+,65-,66-,67-,68-,69-,70-,71-,72-,73+,74+,75-,76-,78+,79+,80-,81+,82+,83+/m1/s1

• Std. InChIKey

  HQHWXYHGCAUTOG-ZEMMNMBOSA-N

• Cite this record

  CSID:27026106, http://www.chemspider.com/Chemical-Structure.27026106.html (accessed 21:04, May 27, 2024)