| SpectraBase Compound ID | 8HbrtcE31wn |
|---|---|
| InChI | InChI=1S/C27H28O14/c1-36-16-7-11(3-4-15(16)29)19(30)13-8-27(41-24(13)35)6-5-12-14(23(34)37-2)10-38-25(18(12)27)40-26-22(33)21(32)20(31)17(9-28)39-26/h3-8,10,12,17-18,20-22,25-26,28-29,31-33H,9H2,1-2H3/t12-,17+,18-,20?,21-,22?,25+,26-,27-/m1/s1 |
| InChIKey | RIDIXCFHWOHPTF-OWZKCRNWSA-N |
| Mol Weight | 576.51 g/mol |
| Molecular Formula | C27H28O14 |
| Exact Mass | 576.147906 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 90H5QZoU0vb |
|---|---|
| Name | DEHYDROMETHOXYGAERTNEROSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H28O14 |
| InChI | InChI=1S/C27H28O14/c1-36-16-7-11(3-4-15(16)29)19(30)13-8-27(41-24(13)35)6-5-12-14(23(34)37-2)10-38-25(18(12)27)40-26-22(33)21(32)20(31)17(9-28)39-26/h3-8,10,12,17-18,20-22,25-26,28-29,31-33H,9H2,1-2H3/t12-,17+,18-,20?,21-,22?,25+,26-,27-/m1/s1 |
| InChIKey | RIDIXCFHWOHPTF-OWZKCRNWSA-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 | 576.511 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI16693 |