| SpectraBase Compound ID | DEyuOxArUeG |
|---|---|
| InChI | InChI=1S/C27H42O5/c1-16(6-11-25(30)31-5)21-9-10-22-20-8-7-18-14-19(32-17(2)28)12-13-26(18,3)23(20)15-24(29)27(21,22)4/h16,18-23H,6-15H2,1-5H3/t16?,18?,19-,20?,21+,22?,23?,26+,27-/m0/s1 |
| InChIKey | XHQVLSIVZIPGLE-PPMAMSIFSA-N |
| Mol Weight | 446.6 g/mol |
| Molecular Formula | C27H42O5 |
| Exact Mass | 446.303224 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9HHQCuzFLc7 |
|---|---|
| Name | 3A-ACETOXY-12-OXO-5B-CHOLAN-24-OATE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C27H42O5 |
| InChI | InChI=1S/C27H42O5/c1-16(6-11-25(30)31-5)21-9-10-22-20-8-7-18-14-19(32-17(2)28)12-13-26(18,3)23(20)15-24(29)27(21,22)4/h16,18-23H,6-15H2,1-5H3/t16?,18?,19-,20?,21+,22?,23?,26+,27-/m0/s1 |
| InChIKey | XHQVLSIVZIPGLE-PPMAMSIFSA-N |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |