| SpectraBase Compound ID | FgXpgnbLao2 |
|---|---|
| InChI | InChI=1S/C41H58O7/c1-26(7-18-38(43)46-6)33-16-17-34-39-35(23-37(41(33,34)3)48-25-28-10-14-32(45-5)15-11-28)40(2)20-19-30(42)21-29(40)22-36(39)47-24-27-8-12-31(44-4)13-9-27/h8-15,26,29-30,33-37,39,42H,7,16-25H2,1-6H3/t26?,29-,30-,33+,34+,35+,36-,37+,39+,40+,41-/m1/s1 |
| InChIKey | BSMPUUVBUAQESU-PSPNNEKSSA-N |
| Mol Weight | 662.9 g/mol |
| Molecular Formula | C41H58O7 |
| Exact Mass | 662.418254 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5bIhbQ4DVJ0 |
|---|---|
| Name | METHYL-3-HYDROXY-7,12-BIS-(4-METHOXYBENZYLOXY)-CHOLANOATE |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H58O7 |
| InChI | InChI=1S/C41H58O7/c1-26(7-18-38(43)46-6)33-16-17-34-39-35(23-37(41(33,34)3)48-25-28-10-14-32(45-5)15-11-28)40(2)20-19-30(42)21-29(40)22-36(39)47-24-27-8-12-31(44-4)13-9-27/h8-15,26,29-30,33-37,39,42H,7,16-25H2,1-6H3/t26?,29-,30-,33+,34+,35+,36-,37+,39+,40+,41-/m1/s1 |
| InChIKey | BSMPUUVBUAQESU-PSPNNEKSSA-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 | 662.907 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP12129 |