| SpectraBase Compound ID | CnHkeQl1Gt5 |
|---|---|
| InChI | InChI=1S/C19H28O12/c1-7(21)29-9-4-19(2,26)12-11(9)8(16(25)27-3)6-28-17(12)31-18-15(24)14(23)13(22)10(5-20)30-18/h6,9-15,17-18,20,22-24,26H,4-5H2,1-3H3/t9-,10+,11+,12-,13+,14-,15+,17+,18-,19+/m1/s1 |
| InChIKey | GKXRBKPTVBNOEE-PCFRYOIQSA-N |
| Mol Weight | 448.42 g/mol |
| Molecular Formula | C19H28O12 |
| Exact Mass | 448.158076 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7oVwu70lghQ |
|---|---|
| Name | 6-O-ACETYL-SHANZHISIDE_METHYLESTER |
| Compound Number | 243 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C19H28O12 |
| InChI | InChI=1S/C19H28O12/c1-7(21)29-9-4-19(2,26)12-11(9)8(16(25)27-3)6-28-17(12)31-18-15(24)14(23)13(22)10(5-20)30-18/h6,9-15,17-18,20,22-24,26H,4-5H2,1-3H3/t9-,10+,11+,12-,13+,14-,15+,17+,18-,19+/m1/s1 |
| InChIKey | GKXRBKPTVBNOEE-PCFRYOIQSA-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 | 448.424 g/mol |
| Solvent | D2O |
| Source File Reference | UWMZ16214 |