(3a,7a,12A)-Cholic acid, methyl ester
Compound with spectra: 16 NMR, and 4 MS (GC)
| SpectraBase Compound ID | Ao7hSdhZnmD |
|---|---|
| InChI | InChI=1S/C25H42O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-21,23,26-28H,5-13H2,1-4H3 |
| InChIKey | DLYVTEULDNMQAR-UHFFFAOYSA-N |
| Mol Weight | 422.6 g/mol |
| Molecular Formula | C25H42O5 |
| Exact Mass | 422.303224 g/mol |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CH2Cl2 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CH2Cl2 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CH2Cl2 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | NP-14-9020-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | NP-19-10-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | KO-9-474-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | KO-6-513-9 |
- Cholan-24-oic acid, 3,7,12-trihydroxy-, methyl ester, (3.alpha.,5.beta.,7.alpha.,12.alpha.)-
- 3a,7a,12b-Trihydroxy-5b-cholanic acid, methyl ester
- 3a,7b,12a-Trihydroxy-5b-cholanic acid, methyl ester
- 3a,7b,12b-Trihydroxy-5b-cholanic acid, methyl ester
- 3b,7a,12a-Trihydroxy-5b-cholanic acid, methyl ester
- 3b,7a,12b-Trihydroxy-5b-cholanic acid, methyl ester
- 3b,7b,12a-Trihydroxy-5b-cholanic acid, methyl ester
- 3b,7b,12b-Trihydroxy-5b-cholanic acid, methyl ester
3-BETA,7-BETA,12-BETA-TRIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
3-ALPHA,7-ALPHA,12-BETA-TRIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
3-BETA,7-ALPHA,12-BETA-TRIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
Methyl cholate
3-BETA,7-ALPHA,12-ALPHA-TRIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
3-ALPHA,7-BETA,12-BETA-TRIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
Methyl 3a,7a,12a-trihydroxy-5b-cholan-24-oate
3-ALPHA,7-BETA,12-ALPHA-TRIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
3-BETA,7-BETA,12-ALPHA-TRIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.