(3β)-28-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-28-oxoolean-12-en-3-yl O-α-L-arabinofuranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→3)]-β-D-glucopyranosiduronic acid
CAS Registry Number®
CAS Name
(3β)-28-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-28-oxoolean-12-en-3-yl O-α-L-arabinofuranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→3)]-β-D-glucopyranosiduronic acidMolecular Formula
C59H94O28Molecular Mass
1251.36Cite this Page
(3β)-28-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-28-oxoolean-12-en-3-yl O-α-L-arabinofuranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→3)]-β-D-glucopyranosiduronic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=344911-91-7 (retrieved ) (CAS RN: 344911-91-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C59H94O28/c1-54(2)14-16-59(53(77)87-51-42(73)38(69)35(66)28(82-51)22-78-48-40(71)36(67)32(63)25(19-60)79-48)17-15-57(6)23(24(59)18-54)8-9-30-56(5)12-11-31(55(3,4)29(56)10-13-58(30,57)7)83-52-43(74)44(84-50-41(72)37(68)33(64)26(20-61)80-50)45(46(86-52)47(75)76)85-49-39(70)34(65)27(21-62)81-49/h8,24-46,48-52,60-74H,9-22H2,1-7H3,(H,75,76)/t24-,25+,26+,27-,28+,29-,30+,31-,32+,33+,34-,35+,36-,37-,38-,39+,40+,41+,42+,43+,44+,45-,46-,48+,49-,50-,51-,52+,56-,57+,58+,59-/m0/s1
InChIKey
InChIKey=WJMVZSDPGGYGNZ-ZWFYINFASA-N
SMILES
C(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)(=O)[C@]34[C@](C=5[C@@](C)(CC3)[C@@]6(C)[C@](CC5)([C@]7(C)[C@@](CC6)(C(C)(C)[C@@H](O[C@H]8[C@H](O)[C@@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H](O[C@@H]%10O[C@@H](CO)[C@H](O)[C@H]%10O)[C@@H](C(O)=O)O8)CC7)[H])[H])(CC(C)(C)CC4)[H]
Canonical SMILES
O=C(O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CCC6(C(=O)OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O)CCC54C)C2(C)C)C(O)C(OC9OC(CO)C(O)C(O)C9O)C1OC%10OC(CO)C(O)C%10O
Other Names for this Substance
- β-D-Glucopyranosiduronic acid, (3β)-28-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-28-oxoolean-12-en-3-yl O-α-L-arabinofuranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→3)]-
- (3β)-28-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-28-oxoolean-12-en-3-yl O-α-L-arabinofuranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→3)]-β-D-glucopyranosiduronic acid
- Congmunoside XI