| SpectraBase Compound ID | 4j4YpD6WZQ0 |
|---|---|
| InChI | InChI=1S/C36H56O7/c1-24(11-14-33(38)40-5)28-12-13-29-34-30(21-32(36(28,29)3)42-22-25-9-7-6-8-10-25)35(2)16-15-27(37)19-26(35)20-31(34)43-23-41-18-17-39-4/h6-10,24,26-32,34,37H,11-23H2,1-5H3/t24?,26-,27-,28+,29+,30+,31-,32+,34+,35+,36-/m1/s1 |
| InChIKey | SAPJFOBVHMRLJI-FUUQFYJQSA-N |
| Mol Weight | 600.8 g/mol |
| Molecular Formula | C36H56O7 |
| Exact Mass | 600.402604 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4INnOByIm4f |
|---|---|
| Name | METHYL-12-BENZYLOXY-3-HYDROXY-7-(2-METHOXYETHOXYMETHOXY)-CHOLANOATE |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O7 |
| InChI | InChI=1S/C36H56O7/c1-24(11-14-33(38)40-5)28-12-13-29-34-30(21-32(36(28,29)3)42-22-25-9-7-6-8-10-25)35(2)16-15-27(37)19-26(35)20-31(34)43-23-41-18-17-39-4/h6-10,24,26-32,34,37H,11-23H2,1-5H3/t24?,26-,27-,28+,29+,30+,31-,32+,34+,35+,36-/m1/s1 |
| InChIKey | SAPJFOBVHMRLJI-FUUQFYJQSA-N |
| Literature Reference Author | P.A.BRADY,J.K.M.SANDERS |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,3237(1997) |
| Literature Reference DOI | 10.1039/a703390g |
| Molecular Weight | 600.836 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP12127 |