| SpectraBase Compound ID | ERy7AttSHCz |
|---|---|
| InChI | InChI=1S/C44H70O19S/c1-17(22-14-41(5)39(2,3)62-44(61-22,63-41)34(53)36(54)64-7)19-8-9-20-26-21(10-11-40(19,20)4)42(6)25(46)12-18(13-43(42,55)35-33(26)60-35)57-38-32(52)30(50)28(48)24(59-38)16-56-37-31(51)29(49)27(47)23(15-45)58-37/h17-35,37-38,45-53,55H,8-16H2,1-7H3/t17-,18-,19?,20?,21?,22+,23+,24+,25-,26?,27+,28+,29-,30-,31+,32+,33-,34?,35-,37+,38+,40+,41+,42-,43-,44-/m0/s1 |
| InChIKey | RVOYZIGGQXOALD-CIXWIZJDSA-N |
| Mol Weight | 935.1 g/mol |
| Molecular Formula | C44H70O19S |
| Exact Mass | 934.423201 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 | DwBQrDfzSWw |
|---|---|
| Name | PETUNIOSIDE-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H70O19S |
| InChI | InChI=1S/C44H70O19S/c1-17(22-14-41(5)39(2,3)62-44(61-22,63-41)34(53)36(54)64-7)19-8-9-20-26-21(10-11-40(19,20)4)42(6)25(46)12-18(13-43(42,55)35-33(26)60-35)57-38-32(52)30(50)28(48)24(59-38)16-56-37-31(51)29(49)27(47)23(15-45)58-37/h17-35,37-38,45-53,55H,8-16H2,1-7H3/t17-,18-,19?,20?,21?,22+,23+,24+,25-,26?,27+,28+,29-,30-,31+,32+,33-,34?,35-,37+,38+,40+,41+,42-,43-,44-/m0/s1 |
| InChIKey | RVOYZIGGQXOALD-CIXWIZJDSA-N |
| Literature Reference Author | K.SHINGU,H.FUJII,K.MIZUKI,I.UEDA,S.YAHARA,T.NOHARA |
| Literature Reference Citation | PHYTOCHEM.,36,1307(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)89657-0 |
| Molecular Weight | 935.088 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU26317 |