1-O-[(3β)-3-{[α-L-Arabinopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-6-methyl-β-D-glucopyranuronosyl]oxy}-28-oxoolean-12-en-28-yl]-β-D-glucopyranose

More details:

• Systematic name

  1-O-[(3beta)-3-{[alpha-L-Arabinopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-6-methyl-beta-D-glucopyranuronosyl]oxy}-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose

• SMILES

  C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)OC)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@H]([C@H](CO9)O)O)O

• Std. InChi

  InChI=1S/C54H86O23/c1-49(2)15-17-54(48(68)77-46-38(65)35(62)33(60)27(21-56)72-46)18-16-52(6)23(24(54)19-49)9-10-29-51(5)13-12-30(50(3,4)28(51)11-14-53(29,52)7)73-47-42(76-44-36(63)31(58)25(57)22-70-44)40(39(66)41(75-47)43(67)69-8)74-45-37(64)34(61)32(59)26(20-55)71-45/h9,24-42,44-47,55-66H,10-22H2,1-8H3/t24-,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

  GDOPGDHWLRJHTG-PEZFIIDJSA-N

• Cite this record

  CSID:26635742, http://www.chemspider.com/Chemical-Structure.26635742.html (accessed 12:19, Jun 16, 2024)