| SpectraBase Compound ID | Bt5Bw1Ncet3 |
|---|---|
| InChI | InChI=1S/C26H26O13/c1-35-22(33)15-10-36-24(38-25-21(32)20(31)19(30)16(9-27)37-25)17-13(15)6-7-26(17)8-14(23(34)39-26)18(29)11-2-4-12(28)5-3-11/h2-8,10,13,16-17,19-21,24-25,27-28,30-32H,9H2,1H3/t13-,16+,17-,19+,20-,21+,24+,25-,26-/m1/s1 |
| InChIKey | POWUQYYCVSQIAC-FBYOWEDBSA-N |
| Mol Weight | 546.48 g/mol |
| Molecular Formula | C26H26O13 |
| Exact Mass | 546.137341 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IQqb0z2ApGt |
|---|---|
| Name | DEHYDROGAERTNEROSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H26O13 |
| InChI | InChI=1S/C26H26O13/c1-35-22(33)15-10-36-24(38-25-21(32)20(31)19(30)16(9-27)37-25)17-13(15)6-7-26(17)8-14(23(34)39-26)18(29)11-2-4-12(28)5-3-11/h2-8,10,13,16-17,19-21,24-25,27-28,30-32H,9H2,1H3/t13-,16+,17-,19+,20-,21+,24+,25-,26-/m1/s1 |
| InChIKey | POWUQYYCVSQIAC-FBYOWEDBSA-N |
| Literature Reference Author | K.CIMANGA,N.HERMANS,S.APERS,S.VANMIERT,H.VANDERHEUVEL,M.CLAE YS,L.PIETERS,A.VLIET |
| Literature Reference Citation | J.NAT.PROD.,66,97(2003) |
| Literature Reference DOI | 10.1021/np020215h |
| Molecular Weight | 546.485 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI16692 |