| SpectraBase Compound ID | 3sXN4htWr6y |
|---|---|
| InChI | InChI=1S/C34H50O6/c1-21(11-14-31(37)38-5)26-12-13-27-32-28(19-30(34(26,27)4)39-20-23-9-7-6-8-10-23)33(3)16-15-25(40-22(2)35)17-24(33)18-29(32)36/h6-10,21,24-30,32,36H,11-20H2,1-5H3/t21?,24-,25-,26+,27+,28+,29-,30+,32+,33+,34-/m1/s1 |
| InChIKey | RXXNYKXBSMRTOO-BLYNGFBHSA-N |
| Mol Weight | 554.8 g/mol |
| Molecular Formula | C34H50O6 |
| Exact Mass | 554.360739 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | bEDZ41CNiF |
|---|---|
| Name | METHYL-3-ACETOXY-12-BENZYLOXY-7-HYDROXYCHOLANOATE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H50O6 |
| InChI | InChI=1S/C34H50O6/c1-21(11-14-31(37)38-5)26-12-13-27-32-28(19-30(34(26,27)4)39-20-23-9-7-6-8-10-23)33(3)16-15-25(40-22(2)35)17-24(33)18-29(32)36/h6-10,21,24-30,32,36H,11-20H2,1-5H3/t21?,24-,25-,26+,27+,28+,29-,30+,32+,33+,34-/m1/s1 |
| InChIKey | RXXNYKXBSMRTOO-BLYNGFBHSA-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 | 554.767 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP12125 |