| SpectraBase Compound ID | CkGelHg214C |
|---|---|
| InChI | InChI=1S/C42H48O20/c1-21-30(46)32(48)34(50)40(56-21)57-25-15-13-22(17-26(25)54-2)14-16-29(45)59-37-31(47)27(18-43)61-42(37,20-44)62-41-35(51)33(49)36(60-39(53)24-11-7-4-8-12-24)28(58-41)19-55-38(52)23-9-5-3-6-10-23/h3-17,21,27-28,30-37,40-41,43-44,46-51H,18-20H2,1-2H3/b16-14+/t21-,27-,28+,30-,31-,32+,33+,34+,35+,36+,37+,40-,41+,42+/m1/s1 |
| InChIKey | MVWFADQKFNMFBG-VOVQXNLDSA-N |
| Mol Weight | 872.8 g/mol |
| Molecular Formula | C42H48O20 |
| Exact Mass | 872.273894 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 | JtYkvaisFbf |
|---|---|
| Name | REINIOSE-D |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H48O20 |
| InChI | InChI=1S/C42H48O20/c1-21-30(46)32(48)34(50)40(56-21)57-25-15-13-22(17-26(25)54-2)14-16-29(45)59-37-31(47)27(18-43)61-42(37,20-44)62-41-35(51)33(49)36(60-39(53)24-11-7-4-8-12-24)28(58-41)19-55-38(52)23-9-5-3-6-10-23/h3-17,21,27-28,30-37,40-41,43-44,46-51H,18-20H2,1-2H3/b16-14+/t21-,27-,28+,30-,31-,32+,33+,34+,35+,36+,37+,40-,41+,42+/m1/s1 |
| InChIKey | MVWFADQKFNMFBG-VOVQXNLDSA-N |
| Literature Reference Author | D.ZHANG,T.MIYASE,M.KUROYANAGI,K.UMEHARA,H.NOGUCHI |
| Literature Reference Citation | PHYTOCHEM.,45,733(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00065-4 |
| Molecular Weight | 872.831 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSP1524 |