| SpectraBase Compound ID | FZNA6Txiuz6 |
|---|---|
| InChI | InChI=1S/C34H48O21/c1-4-14-15(18(29(45)47-2)12-50-31(14)54-33-27(43)25(41)23(39)20(10-36)52-33)6-8-49-22(38)9-17-16(5-7-35)32(51-13-19(17)30(46)48-3)55-34-28(44)26(42)24(40)21(11-37)53-34/h4-5,12-15,17,20-21,23-28,31-37,39-44H,1,6-11H2,2-3H3/b16-5-/t14-,15+,17+,20+,21+,23+,24+,25-,26-,27+,28+,31+,32+,33-,34-/m1/s1 |
| InChIKey | SCSKLJYWLJGMBY-CQOAXZTMSA-N |
| Mol Weight | 792.7 g/mol |
| Molecular Formula | C34H48O21 |
| Exact Mass | 792.268809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FcLj8qzyf2R |
|---|---|
| Name | PENTLANDIOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H48O21 |
| InChI | InChI=1S/C34H48O21/c1-4-14-15(18(29(45)47-2)12-50-31(14)54-33-27(43)25(41)23(39)20(10-36)52-33)6-8-49-22(38)9-17-16(5-7-35)32(51-13-19(17)30(46)48-3)55-34-28(44)26(42)24(40)21(11-37)53-34/h4-5,12-15,17,20-21,23-28,31-37,39-44H,1,6-11H2,2-3H3/b16-5-/t14-,15+,17+,20+,21+,23+,24+,25-,26-,27+,28+,31+,32+,33-,34-/m1/s1 |
| InChIKey | SCSKLJYWLJGMBY-CQOAXZTMSA-N |
| Literature Reference Author | M.NICOLETTI,A.DI_FABIO,A.PASTOR_DE_ABRAM,M.R.URRUNAGA |
| Literature Reference Citation | PLANTA.MED.,62,178(1996) |
| Literature Reference DOI | 10.1055/s-2006-957848 |
| Molecular Weight | 792.743 g/mol |
| Solvent | CD3OD |
| Source File Reference | UIAP819 |