![2-[3-[(2S,6S)-6-[(3S,4R,6R)-7-[(2S,6R)-6-(2-ethoxy-2-keto-1,1-dimethyl-ethyl)tetrahydropyran-2-yl]-4,6-dihydroxy-3-methyl-heptyl]tetrahydropyran-2-yl]propyl]-6-methoxy-benzoic acid methyl ester](/api/spectrum/8HTCdYtieRQ/structure.png?h=300&w=458 "2-[3-[(2S,6S)-6-[(3S,4R,6R)-7-[(2S,6R)-6-(2-ethoxy-2-keto-1,1-dimethyl-ethyl)tetrahydropyran-2-yl]-4,6-dihydroxy-3-methyl-heptyl]tetrahydropyran-2-yl]propyl]-6-methoxy-benzoic acid methyl ester")
| SpectraBase Compound ID | 4WjuxUK4ygR |
|---|---|
| InChI | InChI=1S/C36H58O9/c1-7-43-35(40)36(3,4)32-19-11-17-29(45-32)22-26(37)23-30(38)24(2)20-21-28-16-10-15-27(44-28)14-8-12-25-13-9-18-31(41-5)33(25)34(39)42-6/h9,13,18,24,26-30,32,37-38H,7-8,10-12,14-17,19-23H2,1-6H3/t24-,26-,27-,28-,29-,30+,32+/m0/s1 |
| InChIKey | DHNQQFPYXJSIIR-KRNIPAACSA-N |
| Mol Weight | 634.9 g/mol |
| Molecular Formula | C36H58O9 |
| Exact Mass | 634.408083 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8HTCdYtieRQ |
|---|---|
| Name | 2-[3-[(2S,6S)-6-[(3S,4R,6R)-7-[(2S,6R)-6-(2-ethoxy-2-keto-1,1-dimethyl-ethyl)tetrahydropyran-2-yl]-4,6-dihydroxy-3-methyl-heptyl]tetrahydropyran-2-yl]propyl]-6-methoxy-benzoic acid methyl ester |
| Compound Number | 29 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H58O9 |
| InChI | InChI=1S/C36H58O9/c1-7-43-35(40)36(3,4)32-19-11-17-29(45-32)22-26(37)23-30(38)24(2)20-21-28-16-10-15-27(44-28)14-8-12-25-13-9-18-31(41-5)33(25)34(39)42-6/h9,13,18,24,26-30,32,37-38H,7-8,10-12,14-17,19-23H2,1-6H3/t24-,26-,27-,28-,29-,30+,32+/m0/s1 |
| InChIKey | DHNQQFPYXJSIIR-KRNIPAACSA-N |
| Literature Reference Author | J.R.BACKES,U.KOERT |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2777(2006) |
| Molecular Weight | 634.851 g/mol |
| Sample ID | 44029 |
| Solvent | CDCl3 |