6-Deoxy-1-O-[(3β,16β)-3-{[6-deoxy-α-L-mannopyranosyl-(1->3)-[β-D-glucopyranosyl-(1->2)]-β-D-glucopyranuronosyl]oxy}-16-hydroxy-28-oxoolean-12-en-28-yl]-α-L-mannopyranose

More details:

• Systematic name

  6-Deoxy-1-O-[(3beta,16beta)-3-{[6-deoxy-alpha-L-mannopyranosyl-(1->3)-[beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranuronosyl]oxy}-16-hydroxy-28-oxoolean-12-en-28-yl]-alpha-L-mannopyranose

• SMILES

  C[C@@]12C[C@H](O)[C@]3(CCC(C)(C)C[C@H]3C1=CC[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CC[C@H](O[C@@H]1O[C@@H]([C@@H](O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C2(C)C)C(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O

• Std. InChi

  InChI=1S/C54H86O23/c1-21-30(57)33(60)36(63)44(70-21)74-40-39(66)41(43(67)68)75-47(42(40)76-46-38(65)35(62)32(59)25(20-55)72-46)73-29-13-14-51(7)26(50(29,5)6)12-15-52(8)27(51)11-10-23-24-18-49(3,4)16-17-54(24,28(56)19-53(23,52)9)48(69)77-45-37(64)34(61)31(58)22(2)71-45/h10,21-22,24-42,44-47,55-66H,11-20H2,1-9H3,(H,67,68)/t21-,22-,24-,25+,26-,27+,28-,29-,30-,31-,32+,33+,34+,35-,36+,37+,38+,39-,40-,41-,42+,44-,45-,46-,47+,51-,52+,53+,54+/m0/s1

• Std. InChIKey

  FIVKAIYQSXLPQG-LONJNLMYSA-N

• Cite this record

  CSID:76793493, http://www.chemspider.com/Chemical-Structure.76793493.html (accessed 14:35, Jun 16, 2024)