| SpectraBase Compound ID | CBgWsekunR |
|---|---|
| InChI | InChI=1S/C41H44O21/c1-19(42)53-17-41(62-25(7)48)18-54-40(38(41)59-24(6)47)52-16-32-35(56-21(3)44)36(57-22(4)45)37(58-23(5)46)39(61-32)60-27-11-9-26(10-12-27)29-15-51-30-13-28(50-8)14-31(55-20(2)43)33(30)34(29)49/h9-15,32,35-40H,16-18H2,1-8H3/t32-,35-,36+,37-,38-,39-,40+,41+/m1/s1 |
| InChIKey | IYVMPTHBRUBMKO-GGDPAXTKSA-N |
| Mol Weight | 872.8 g/mol |
| Molecular Formula | C41H44O21 |
| Exact Mass | 872.237508 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | K2hhQFum5C5 |
|---|---|
| Name | COROMANDELIN-HEPTAACETATE;PRUNETIN-4'-O-PIOSYL-(->6)-GLUCOSIDE-HEPTAACETATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H44O21 |
| InChI | InChI=1S/C41H44O21/c1-19(42)53-17-41(62-25(7)48)18-54-40(38(41)59-24(6)47)52-16-32-35(56-21(3)44)36(57-22(4)45)37(58-23(5)46)39(61-32)60-27-11-9-26(10-12-27)29-15-51-30-13-28(50-8)14-31(55-20(2)43)33(30)34(29)49/h9-15,32,35-40H,16-18H2,1-8H3/t32-,35-,36+,37-,38-,39-,40+,41+/m1/s1 |
| InChIKey | IYVMPTHBRUBMKO-GGDPAXTKSA-N |
| Literature Reference Author | P.RAMESH,C.R.YUVARAJAN |
| Literature Reference Citation | J.NAT.PROD.,58,1240(1995) |
| Literature Reference DOI | 10.1021/np50122a012 |
| Molecular Weight | 872.788 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWPR1350 |