| SpectraBase Compound ID | 7EcUiJbBP0t |
|---|---|
| InChI | InChI=1S/C36H56O10/c1-17-18(2)26-19-12-20(38)30-33(4)10-9-24(40)34(5,16-45-31-29(44)28(43)27(42)22(15-37)46-31)23(33)8-11-35(30,6)36(19,7)25(41)14-32(26,3)13-21(17)39/h12,17-18,22-31,37,40-44H,8-11,13-16H2,1-7H3/t17-,18-,22+,23+,24-,25-,26-,27+,28-,29+,30+,31+,32+,33-,34+,35+,36-/m0/s1 |
| InChIKey | CMNVFGCNKCTBIL-OVTFRJSBSA-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 | 2RUvwxwwJAb |
|---|---|
| Name | 11,21-DIOXO-3-BETA,15-ALPHA,24-TRIHYDROXY-URS-12-ENE-24-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O10 |
| InChI | InChI=1S/C36H56O10/c1-17-18(2)26-19-12-20(38)30-33(4)10-9-24(40)34(5,16-45-31-29(44)28(43)27(42)22(15-37)46-31)23(33)8-11-35(30,6)36(19,7)25(41)14-32(26,3)13-21(17)39/h12,17-18,22-31,37,40-44H,8-11,13-16H2,1-7H3/t17-,18-,22+,23+,24-,25-,26-,27+,28-,29+,30+,31+,32+,33-,34+,35+,36-/m0/s1 |
| InChIKey | CMNVFGCNKCTBIL-OVTFRJSBSA-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 | 33449 |
| Solvent | C5D5N |