| SpectraBase Compound ID | 5jZSf0WoBiY |
|---|---|
| InChI | InChI=1S/C21H30O13/c1-8(23)31-11-5-21(3,34-9(2)24)14-13(11)10(18(28)29-4)7-30-19(14)33-20-17(27)16(26)15(25)12(6-22)32-20/h7,11-17,19-20,22,25-27H,5-6H2,1-4H3/t11-,12+,13+,14-,15+,16-,17+,19+,20-,21+/m1/s1 |
| InChIKey | RWVBOALDCWZGDK-MFOWHKIZSA-N |
| Mol Weight | 490.46 g/mol |
| Molecular Formula | C21H30O13 |
| Exact Mass | 490.168641 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KvnTXvfEN9q |
|---|---|
| Name | 6,8-DI-O-ACETYL-SHANZHISIDE_METHYLESTER |
| Compound Number | 245 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H30O13 |
| InChI | InChI=1S/C21H30O13/c1-8(23)31-11-5-21(3,34-9(2)24)14-13(11)10(18(28)29-4)7-30-19(14)33-20-17(27)16(26)15(25)12(6-22)32-20/h7,11-17,19-20,22,25-27H,5-6H2,1-4H3/t11-,12+,13+,14-,15+,16-,17+,19+,20-,21+/m1/s1 |
| InChIKey | RWVBOALDCWZGDK-MFOWHKIZSA-N |
| Literature Reference Author | C.A.BOROS,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,53,1055(1990) |
| Literature Reference DOI | 10.1021/np50071a001 |
| Molecular Weight | 490.461 g/mol |
| Solvent | D2O |
| Source File Reference | UWMZ16216 |