| SpectraBase Compound ID | Gb2bIz9niCf |
|---|---|
| InChI | InChI=1S/C44H50O24/c1-60-23-9-16(10-24(61-2)31(23)49)3-8-28(48)62-15-27-34(52)38(56)41(59)44(68-27)66-22-12-21-29(35(53)30(22)42-39(57)36(54)32(50)25(13-45)65-42)19(47)11-20(64-21)17-4-6-18(7-5-17)63-43-40(58)37(55)33(51)26(14-46)67-43/h3-12,25-27,32-34,36-46,49-59H,13-15H2,1-2H3/b8-3+/t25-,26+,27+,32-,33+,34+,36+,37-,38-,39-,40+,41+,42+,43+,44+/m0/s1 |
| InChIKey | VZEIFXYQETXOPW-XEKMKHAUSA-N |
| Mol Weight | 962.9 g/mol |
| Molecular Formula | C44H50O24 |
| Exact Mass | 962.269202 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 | 32ocGkIsbON |
|---|---|
| Name | 4'-GLUCOPYRANOSYL-6'''-SINAPOYLSAPONARIN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H50O24 |
| InChI | InChI=1S/C44H50O24/c1-60-23-9-16(10-24(61-2)31(23)49)3-8-28(48)62-15-27-34(52)38(56)41(59)44(68-27)66-22-12-21-29(35(53)30(22)42-39(57)36(54)32(50)25(13-45)65-42)19(47)11-20(64-21)17-4-6-18(7-5-17)63-43-40(58)37(55)33(51)26(14-46)67-43/h3-12,25-27,32-34,36-46,49-59H,13-15H2,1-2H3/b8-3+/t25-,26+,27+,32-,33+,34+,36+,37-,38-,39-,40+,41+,42+,43+,44+/m0/s1 |
| InChIKey | VZEIFXYQETXOPW-XEKMKHAUSA-N |
| Literature Reference Author | M.OHKAWA,J.KINJO,Y.HAGIWARA,H.HAGIWARA,H.UEYAMA,K.NAKAMURA,R .ISHIKAWA,M.ONO,T.NO |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,1887(1998) |
| Literature Reference DOI | 10.1248/cpb.46.1887 |
| Molecular Weight | 962.867 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMS20907 |