| SpectraBase Compound ID | 1rJDnd76uQ7 |
|---|---|
| InChI | InChI=1S/C36H56O13/c1-31-14-19(39)27(43)34(4,29(44)45)22(31)9-10-33(3)21(31)7-6-18-26-35(5,47)17(15-37)8-11-36(26,13-12-32(18,33)2)30(46)49-28-25(42)24(41)23(40)20(16-38)48-28/h6,17,19-28,37-43,47H,7-16H2,1-5H3,(H,44,45)/t17-,19+,20+,21+,22+,23+,24-,25+,26+,27-,28-,31+,32+,33+,34+,35+,36-/m0/s1 |
| InChIKey | LVBOKTOBPDULLX-GVLMCFEKSA-N |
| Mol Weight | 696.8 g/mol |
| Molecular Formula | C36H56O13 |
| Exact Mass | 696.372092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8piicDcmD0t |
|---|---|
| Name | TRILOCULAROSIDE-A;2-ALPHA,3-BETA,19-ALPHA,30-TETRAHYDROXY-URS-12-ENE-24,28-DIOIC-ACID-28-O-BETA-D-GLUCOPYRANOSYLESTER |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O13 |
| InChI | InChI=1S/C36H56O13/c1-31-14-19(39)27(43)34(4,29(44)45)22(31)9-10-33(3)21(31)7-6-18-26-35(5,47)17(15-37)8-11-36(26,13-12-32(18,33)2)30(46)49-28-25(42)24(41)23(40)20(16-38)48-28/h6,17,19-28,37-43,47H,7-16H2,1-5H3,(H,44,45)/t17-,19+,20+,21+,22+,23+,24-,25+,26+,27-,28-,31+,32+,33+,34+,35+,36-/m0/s1 |
| InChIKey | LVBOKTOBPDULLX-GVLMCFEKSA-N |
| Literature Reference Author | A.AHMED,M.ASIM,M.ZAHID,A.ALI,V.U.AHMAD |
| Literature Reference Citation | CHEM.PHARM.BULL.,51,851(2003) |
| Literature Reference DOI | 10.1248/cpb.51.851 |
| Molecular Weight | 696.833 g/mol |
| Solvent | C5D5N:D2O |
| Source File Reference | UWLU20069 |