| SpectraBase Compound ID | 5jQ9d1W0qTo |
|---|---|
| InChI | InChI=1S/C28H30O14/c1-12(29)38-11-18-21(32)22(33)23(34)27(40-18)41-26-19-15(17(10-39-26)24(35)37-2)7-8-28(19)9-16(25(36)42-28)20(31)13-3-5-14(30)6-4-13/h3-10,15,18-23,26-27,30-34H,11H2,1-2H3/t15-,18+,19-,20?,21+,22-,23+,26+,27-,28-/m1/s1 |
| InChIKey | BDUPWFOFVQZENO-XSTBZLTMSA-N |
| Mol Weight | 590.53 g/mol |
| Molecular Formula | C28H30O14 |
| Exact Mass | 590.163556 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IgJwTXx4UQT |
|---|---|
| Name | ACETYLGAERTNEROSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H30O14 |
| InChI | InChI=1S/C28H30O14/c1-12(29)38-11-18-21(32)22(33)23(34)27(40-18)41-26-19-15(17(10-39-26)24(35)37-2)7-8-28(19)9-16(25(36)42-28)20(31)13-3-5-14(30)6-4-13/h3-10,15,18-23,26-27,30-34H,11H2,1-2H3/t15-,18+,19-,20?,21+,22-,23+,26+,27-,28-/m1/s1 |
| InChIKey | BDUPWFOFVQZENO-XSTBZLTMSA-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 | 590.538 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI16691 |