| SpectraBase Compound ID | 4MeLGnx80SY |
|---|---|
| InChI | InChI=1S/C36H58O11/c1-31(18-46-29-27(42)26(41)25(40)22(16-37)47-29)10-12-36(30(44)45)13-11-34(4)19(20(36)14-31)6-7-24-32(2)15-21(39)28(43)33(3,17-38)23(32)8-9-35(24,34)5/h6,20-29,37-43H,7-18H2,1-5H3,(H,44,45)/t20?,21-,22-,23?,24?,25-,26+,27-,28+,29-,31-,32+,33+,34-,35-,36+/m1/s1 |
| InChIKey | YCAFVPUWJHSDEU-KKODIGSMSA-N |
| Mol Weight | 666.8 g/mol |
| Molecular Formula | C36H58O11 |
| Exact Mass | 666.397913 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5uzvdDEfHM |
|---|---|
| Name | 2ALPHA,3BETA,23,29-TETRAHYDROXYOLEAN-12-EN-28-OIC_ACID_29-O-BETA-D-GLUCO-PYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H58O11 |
| InChI | InChI=1S/C36H58O11/c1-31(18-46-29-27(42)26(41)25(40)22(16-37)47-29)10-12-36(30(44)45)13-11-34(4)19(20(36)14-31)6-7-24-32(2)15-21(39)28(43)33(3,17-38)23(32)8-9-35(24,34)5/h6,20-29,37-43H,7-18H2,1-5H3,(H,44,45)/t20?,21-,22-,23?,24?,25-,26+,27-,28+,29-,31-,32+,33+,34-,35-,36+/m1/s1 |
| InChIKey | YCAFVPUWJHSDEU-KKODIGSMSA-N |
| Literature Reference Author | A.BRACA,A.BADER,T.SICILIANO,I.MORELLI,N.DE_TOMMASI |
| Literature Reference Citation | PLANTA.MED.,69,835(2003) |
| Literature Reference DOI | 10.1055/s-2003-43202 |
| Molecular Weight | 666.850 g/mol |
| Solvent | CD3OD |
| Source File Reference | UIAP2034 |