| SpectraBase Compound ID | AS59jB0v9kb |
|---|---|
| InChI | InChI=1S/C27H34O16S/c1-10(28)35-9-16-20(37-11(2)29)21(38-12(3)30)22(39-13(4)31)26(41-16)43-25-17-14(8-36-27(33)44-6)7-15-18(17)19(23(32)40-15)24(34-5)42-25/h7,15-22,24-26H,8-9H2,1-6H3/t15-,16-,17+,18-,19+,20-,21+,22-,24-,25?,26+/m0/s1 |
| InChIKey | ZYQCGBKFFKBBNF-SBRQJUQESA-N |
| Mol Weight | 646.6 g/mol |
| Molecular Formula | C27H34O16S |
| Exact Mass | 646.156756 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 | 335rFnqGBNs |
|---|---|
| Name | 3,4-DIHYDRO-3-METHOXY-PAEDEROSIDE-TETRAACETATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H34O16S |
| InChI | InChI=1S/C27H34O16S/c1-10(28)35-9-16-20(37-11(2)29)21(38-12(3)30)22(39-13(4)31)26(41-16)43-25-17-14(8-36-27(33)44-6)7-15-18(17)19(23(32)40-15)24(34-5)42-25/h7,15-22,24-26H,8-9H2,1-6H3/t15-,16-,17+,18-,19+,20-,21+,22-,24-,25?,26+/m0/s1 |
| InChIKey | ZYQCGBKFFKBBNF-SBRQJUQESA-N |
| Literature Reference Author | D.N.QUANG,T.HASHIMOTO,M.TANAKA,N.X.DUNG,Y.ASAKAWA |
| Literature Reference Citation | PHYTOCHEM.,60,505(2002) |
| Literature Reference DOI | 10.1016/S0031-9422(02)00096-1 |
| Molecular Weight | 646.617 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS1702 |