| SpectraBase Compound ID | 485wZgSIwxX |
|---|---|
| InChI | InChI=1S/C25H42O6/c1-13(5-8-20(28)31-4)15-6-7-16-21-17(12-19(27)25(15,16)3)24(2)10-9-14(26)11-18(24)22(29)23(21)30/h13-19,21-23,26-27,29-30H,5-12H2,1-4H3/t13-,14+,15+,16?,17?,18?,19-,21?,22-,23+,24+,25+/m1/s1 |
| InChIKey | SYHUKNSTHJICMX-IZCDMORKSA-N |
| Mol Weight | 438.6 g/mol |
| Molecular Formula | C25H42O6 |
| Exact Mass | 438.298139 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6I3Zd7FsGkS |
|---|---|
| Name | 3A,6B,7B,12A-TETRAHYDROXY-5A-CHOLANOIC ACID METHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C25H42O6 |
| InChI | InChI=1S/C25H42O6/c1-13(5-8-20(28)31-4)15-6-7-16-21-17(12-19(27)25(15,16)3)24(2)10-9-14(26)11-18(24)22(29)23(21)30/h13-19,21-23,26-27,29-30H,5-12H2,1-4H3/t13-,14+,15+,16?,17?,18?,19-,21?,22-,23+,24+,25+/m1/s1 |
| InChIKey | SYHUKNSTHJICMX-IZCDMORKSA-N |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |