| SpectraBase Compound ID | Kmzx0DIAxK8 |
|---|---|
| InChI | InChI=1S/C28H36O12/c1-12-9-21-28(27(8,40-28)24(33)38-21)23(37-16(5)32)22-25(6,18(35-14(3)30)10-17(12)34-13(2)29)19(36-15(4)31)11-20-26(22,7)39-20/h9,17-23H,10-11H2,1-8H3/b12-9-/t17-,18+,19+,20+,21+,22-,23+,25+,26+,27+,28+/m0/s1 |
| InChIKey | IGYXPCPKEMOALW-ITSZQAFRSA-N |
| Mol Weight | 564.6 g/mol |
| Molecular Formula | C28H36O12 |
| Exact Mass | 564.220677 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JrZmvStpdQ1 |
|---|---|
| Name | STECHOLIDE-C-ACETATE |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H36O12 |
| InChI | InChI=1S/C28H36O12/c1-12-9-21-28(27(8,40-28)24(33)38-21)23(37-16(5)32)22-25(6,18(35-14(3)30)10-17(12)34-13(2)29)19(36-15(4)31)11-20-26(22,7)39-20/h9,17-23H,10-11H2,1-8H3/b12-9-/t17-,18+,19+,20+,21+,22-,23+,25+,26+,27+,28+/m0/s1 |
| InChIKey | IGYXPCPKEMOALW-ITSZQAFRSA-N |
| Literature Reference Author | S.J.BLOOR,F.J.SCHMITZ,M.B.HOSSAIN,D.VANDERHELM |
| Literature Reference Citation | J.ORG.CHEM.,57,1205(1992) |
| Literature Reference DOI | 10.1021/jo00030a031 |
| Molecular Weight | 564.587 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRH1256 |