| SpectraBase Compound ID | 3xAhrb1dB8e |
|---|---|
| InChI | InChI=1S/C26H32O13/c1-12(27)35-11-16-19(28)20(29)21(30)25(38-16)39-24-18-17(14(10-36-24)23(32)34-3)15(9-26(18,2)33)37-22(31)13-7-5-4-6-8-13/h4-8,10,15-21,24-25,28-30,33H,9,11H2,1-3H3/t15-,16-,17+,18-,19-,20+,21-,24+,25+,26+/m1/s1 |
| InChIKey | YMJXTLTVPUWDRT-PBECWCPXSA-N |
| Mol Weight | 552.5 g/mol |
| Molecular Formula | C26H32O13 |
| Exact Mass | 552.184291 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1n2s7DTdMjr |
|---|---|
| Name | 6-O-BENZOYL-6'-O-ACETYLSHANZHISIDE-METHYLESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H32O13 |
| InChI | InChI=1S/C26H32O13/c1-12(27)35-11-16-19(28)20(29)21(30)25(38-16)39-24-18-17(14(10-36-24)23(32)34-3)15(9-26(18,2)33)37-22(31)13-7-5-4-6-8-13/h4-8,10,15-21,24-25,28-30,33H,9,11H2,1-3H3/t15-,16-,17+,18-,19-,20+,21-,24+,25+,26+/m1/s1 |
| InChIKey | YMJXTLTVPUWDRT-PBECWCPXSA-N |
| Literature Reference Author | D.GOURNELIS,A.L.SKALTSOUNIS,F.TILLEQUIN,M.KOCH,J.PUSSET,S.LA BARRE |
| Literature Reference Citation | J.NAT.PROD.,52,306(1989) |
| Literature Reference DOI | 10.1021/np50062a015 |
| Molecular Weight | 552.532 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS1206 |