| SpectraBase Compound ID | AjtA10nXHVt |
|---|---|
| InChI | InChI=1S/C40H55NO16S/c1-21(2)16-28(43)41-30-32(56-29(44)11-10-23-8-6-5-7-9-23)31(57-58(51,52)53)25(19-42)55-34(30)54-24-17-37(4)26-13-15-39(50)20-38(26,33(45)22(39)3)14-12-27(37)40(18-24,35(46)47)36(48)49/h5-9,21,24-27,30-34,42,45,50H,3,10-20H2,1-2,4H3,(H,41,43)(H,46,47)(H,48,49)(H,51,52,53)/t24-,25-,26?,27?,30-,31-,32-,33-,34-,37-,38+,39-/m0/s1 |
| InChIKey | KYASWIDHXVKTDA-INNLLUEFSA-N |
| Mol Weight | 837.9 g/mol |
| Molecular Formula | C40H55NO16S |
| Exact Mass | 837.324156 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 | FmqcsxTvr7c |
|---|---|
| Name | 4'-O-SULPHOWEDELOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H55NO16S |
| InChI | InChI=1S/C40H55NO16S/c1-21(2)16-28(43)41-30-32(56-29(44)11-10-23-8-6-5-7-9-23)31(57-58(51,52)53)25(19-42)55-34(30)54-24-17-37(4)26-13-15-39(50)20-38(26,33(45)22(39)3)14-12-27(37)40(18-24,35(46)47)36(48)49/h5-9,21,24-27,30-34,42,45,50H,3,10-20H2,1-2,4H3,(H,41,43)(H,46,47)(H,48,49)(H,51,52,53)/t24-,25-,26?,27?,30-,31-,32-,33-,34-,37-,38+,39-/m0/s1 |
| InChIKey | KYASWIDHXVKTDA-INNLLUEFSA-N |
| Literature Reference Author | C.A.CALANASAN,J.K.MACLEOD |
| Literature Reference Citation | PHYTOCHEM.,47,1093(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00599-2 |
| Molecular Weight | 837.934 g/mol |
| Solvent | D2O |
| Source File Reference | UWMS474 |