| SpectraBase Compound ID | DB7mJXVY2Bl |
|---|---|
| InChI | InChI=1S/C28H38O11/c1-8-9-20(31)37-23-16(34-14(3)29)10-13(2)11-19-28(27(7,39-28)24(33)36-19)22(32)21-25(23,5)17(35-15(4)30)12-18-26(21,6)38-18/h11,16-19,21-23,32H,8-10,12H2,1-7H3/b13-11-/t16-,17-,18-,19-,21+,22-,23-,25-,26-,27-,28-/m1/s1 |
| InChIKey | RMHQLHLEYNVYRW-YYWAPPKBSA-N |
| Mol Weight | 550.6 g/mol |
| Molecular Formula | C28H38O11 |
| Exact Mass | 550.241412 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2q2MVyTV1g5 |
|---|---|
| Name | 3-ACETOXY-STECHOLIDE-E |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H38O11 |
| InChI | InChI=1S/C28H38O11/c1-8-9-20(31)37-23-16(34-14(3)29)10-13(2)11-19-28(27(7,39-28)24(33)36-19)22(32)21-25(23,5)17(35-15(4)30)12-18-26(21,6)38-18/h11,16-19,21-23,32H,8-10,12H2,1-7H3/b13-11-/t16-,17-,18-,19-,21+,22-,23-,25-,26-,27-,28-/m1/s1 |
| InChIKey | RMHQLHLEYNVYRW-YYWAPPKBSA-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 | 550.603 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRH1266 |