Methyldehydrocholate
Compound with spectra: 1 NMR, 2 FTIR, and 1 Raman
| SpectraBase Compound ID | Bi2L7bGnD40 |
|---|---|
| InChI | InChI=1S/C25H36O5/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/h14-15,17-19,23H,5-13H2,1-4H3/t14-,15+,17-,18+,19+,23+,24+,25-/m1/s1 |
| InChIKey | ZNRVRJLOYAQJBW-QIGXKWAMSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C25H36O5 |
| Exact Mass | 416.256274 g/mol |
| Enantiomer InChIKey | ZNRVRJLOYAQJBW-XRLPMCNRSA-N |
| Copyright | Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Steraloids Inc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | C2035-000 |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2013-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Steraloids Inc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | C2035-000 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich Chemical Company, Inc., Milwaukee, Wisconsin |
| Catalog Number | S63757 |
| Technique | KBr WAFER |
- 5β-Cholanic acid-3,7,12-trione, methyl ester
- 3,7,12-Trioxo-5β-cholan-24-oic acid, methyl ester
- CHOLIC ACID, DEHYDRO-, METHYL ESTER
- 5B-CHOLAN-24-OIC ACID, 3,7,12-TRIOXO-, METHYL ESTER
Dehydrocholic acid, mono-TMS
3,7,12-trioxo-5β-cholan-24-oic acid, sodium salt
9a,11a-Dimethyl-1-(1-methyl-4-oxo-4-phenylbutyl)-3a,3b,5,5a,6,8,9,9a,9b,10,11a-dodecahydrocyclopenta[a]phenanthrene-4,7,11-trione
Cholan-24-oic acid, 7,12-dioxo-, (5.beta.)-
1-Phenanthreneacetic acid, tetradecahydro-2-(methoxycarbonyl)-2,4b-dimethyl-3,7,10-trioxo-, methyl ester, [1S-(1.alpha.,2.beta.,4a.beta.,4b.alpha.,8a.alpha.,10a.alpha.)]-
3a,7a-Diacetoxy-12-oxo-5b-cholanoic acid, methyl ester
NORSELIC_ACID_A
3ALPHA,6ALPHA-DITOSYLOXY-24,24,25,25,26,26-HEXAFLUORO-26-TRIFLUOROMETHYL-27-NOR-5BETA-CHOLESTANE
5.alpha.-Cholan-24-oic acid, 12.alpha.-hydroxy-3,7-dioxo-, methyl ester
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.
KnowItAll IR, Raman, and UV-Vis Spectral Libraries
Author: Wiley
The KnowItAll IR, Raman, and UV-Vis spectral libraries offer access to the world's largest collection of IR, Raman, and UV-Vis spectra, including the renowned Sadtler spectra. The libraries include a wide range of compounds from pure organics to industrial compounds. Learn more.