| SpectraBase Compound ID | 8CQAcG6qEwQ |
|---|---|
| InChI | InChI=1S/C34H52O6/c1-19(2)21-13-16-34(29(37)39-10)18-17-31(6)22(25(21)34)11-12-24-32(31,7)15-14-23-30(4,5)27(40-20(3)35)26(28(36)38-9)33(23,24)8/h21-27H,1,11-18H2,2-10H3/t21-,22+,23-,24-,25+,26+,27-,31+,32+,33-,34-/m0/s1 |
| InChIKey | YNJZSYKZHPVGCN-JDKZVXQFSA-N |
| Mol Weight | 556.8 g/mol |
| Molecular Formula | C34H52O6 |
| Exact Mass | 556.376389 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6WVKQKyU5m |
|---|---|
| Name | 3-O-ACETYL-DIMETHYL-CEANOTHATE |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H52O6 |
| InChI | InChI=1S/C34H52O6/c1-19(2)21-13-16-34(29(37)39-10)18-17-31(6)22(25(21)34)11-12-24-32(31,7)15-14-23-30(4,5)27(40-20(3)35)26(28(36)38-9)33(23,24)8/h21-27H,1,11-18H2,2-10H3/t21-,22+,23-,24-,25+,26+,27-,31+,32+,33-,34-/m0/s1 |
| InChIKey | YNJZSYKZHPVGCN-JDKZVXQFSA-N |
| Literature Reference Author | D.B.DOMINGUEZ-CARMONA,F.ESCALANTE-EROSA,K.GARCIA-SOSA,G.RUIZ -PINELL |
| Literature Reference Citation | J.BRAZ.CHEM.SOC.,22,1279(2011) |
| Literature Reference DOI | 10.1590/s0103-50532011000700013 |
| Molecular Weight | 556.783 g/mol |
| Source File Reference | UWBT5671 |