| SpectraBase Compound ID | L9gf2JbtLCy |
|---|---|
| InChI | InChI=1S/C36H56O10/c1-16-17(2)25-18-11-19(38)29-34(6)13-21(45-31-28(43)27(42)26(41)22(15-37)46-31)30(44)32(3,4)23(34)9-10-35(29,7)36(18,8)24(40)14-33(25,5)12-20(16)39/h11,16-17,21-31,37,40-44H,9-10,12-15H2,1-8H3/t16-,17-,21-,22-,23-,24-,25-,26-,27+,28-,29+,30-,31-,33+,34-,35+,36-/m0/s1 |
| InChIKey | FKHLQJPIXQUHHY-LWARAHHHSA-N |
| Mol Weight | 648.8 g/mol |
| Molecular Formula | C36H56O10 |
| Exact Mass | 648.387348 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6CzgogCG9IO |
|---|---|
| Name | 11,21-DIOXO-2-BETA,3-BETA,15-ALPHA-TRIHYDROXY-URS-12-ENE-2-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O10 |
| InChI | InChI=1S/C36H56O10/c1-16-17(2)25-18-11-19(38)29-34(6)13-21(45-31-28(43)27(42)26(41)22(15-37)46-31)30(44)32(3,4)23(34)9-10-35(29,7)36(18,8)24(40)14-33(25,5)12-20(16)39/h11,16-17,21-31,37,40-44H,9-10,12-15H2,1-8H3/t16-,17-,21-,22-,23-,24-,25-,26-,27+,28-,29+,30-,31-,33+,34-,35+,36-/m0/s1 |
| InChIKey | FKHLQJPIXQUHHY-LWARAHHHSA-N |
| Literature Reference Author | K.ZHOU,F.ZHAO,Z.LIU,Y.ZHUANG,L.CHEN,F.QIU |
| Literature Reference Citation | J.NAT.PROD.,72,1563(2009) |
| Literature Reference DOI | 10.1021/np900117v |
| Molecular Weight | 648.835 g/mol |
| Sample ID | 33448 |
| Solvent | C5D5N |