| SpectraBase Compound ID | 9fZLbEYEI3o |
|---|---|
| InChI | InChI=1S/C53H86O21/c1-23-32(56)41(73-44-39(63)36(60)33(57)26(20-54)69-44)40(64)45(68-23)74-42-37(61)34(58)27(21-55)70-46(42)71-28-22-67-43(38(62)35(28)59)72-31-12-13-50(6)29(49(31,4)5)11-14-52(8)30(50)10-9-24-25-19-48(2,3)15-17-53(25,47(65)66)18-16-51(24,52)7/h9,23,25-46,54-64H,10-22H2,1-8H3,(H,65,66)/t23-,25-,26+,27+,28-,29-,30+,31-,32-,33+,34+,35-,36-,37-,38+,39+,40+,41+,42+,43+,44-,45+,46-,50-,51+,52+,53-/m0/s1 |
| InChIKey | WHZZQORRUYKNTJ-FZAOADHOSA-N |
| Mol Weight | 1059.2 g/mol |
| Molecular Formula | C53H86O21 |
| Exact Mass | 1058.56616 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ZFnBZBATlL |
|---|---|
| Name | 3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCO-PYRANOSYL-(1->4)-ALPHA-L-ARABINOPYRANOSYL-OLEANOLIC-ACID |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H86O21 |
| InChI | InChI=1S/C53H86O21/c1-23-32(56)41(73-44-39(63)36(60)33(57)26(20-54)69-44)40(64)45(68-23)74-42-37(61)34(58)27(21-55)70-46(42)71-28-22-67-43(38(62)35(28)59)72-31-12-13-50(6)29(49(31,4)5)11-14-52(8)30(50)10-9-24-25-19-48(2,3)15-17-53(25,47(65)66)18-16-51(24,52)7/h9,23,25-46,54-64H,10-22H2,1-8H3,(H,65,66)/t23-,25-,26+,27+,28-,29-,30+,31-,32-,33+,34+,35-,36-,37-,38+,39+,40+,41+,42+,43+,44-,45+,46-,50-,51+,52+,53-/m0/s1 |
| InChIKey | WHZZQORRUYKNTJ-FZAOADHOSA-N |
| Literature Reference Author | E.P.SCHENKEL,W.WERNER,K.E.SCHULTE |
| Literature Reference Citation | PLANTA.MED.,57,463(1991) |
| Literature Reference DOI | 10.1055/s-2006-960152 |
| Molecular Weight | 1059.253 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UIAP199 |