| SpectraBase Compound ID | 3dU6C54N0zz |
|---|---|
| InChI | InChI=1S/C24H34O5/c1-12-21-19(29-22(12)27)10-18-16-6-5-14-9-15(28-13(2)25)7-8-23(14,3)17(16)11-20(26)24(18,21)4/h12,14-19,21H,5-11H2,1-4H3/t12-,14-,15-,16+,17-,18-,19-,21-,23-,24+/m0/s1 |
| InChIKey | VKDMIQKIXLFEKR-ZGQVZTRTSA-N |
| Mol Weight | 402.5 g/mol |
| Molecular Formula | C24H34O5 |
| Exact Mass | 402.240624 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D0sTHvZC63y |
|---|---|
| Name | 3-BETA-ACETOXY-12-OXO-16-HYDROXY-5-BETA-DINORCHOLANIC-ACID-(22->16)-LACTONE |
| Compound Number | 3D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H34O5 |
| InChI | InChI=1S/C24H34O5/c1-12-21-19(29-22(12)27)10-18-16-6-5-14-9-15(28-13(2)25)7-8-23(14,3)17(16)11-20(26)24(18,21)4/h12,14-19,21H,5-11H2,1-4H3/t12-,14-,15-,16+,17-,18-,19-,21-,23-,24+/m0/s1 |
| InChIKey | VKDMIQKIXLFEKR-ZGQVZTRTSA-N |
| Literature Reference Author | K.M.RUIZ-PEREZ,M.ROMERO-AVILA,V.TINAJERO-DELGADO,M.FLORES-AL AMO,M.A.IGLESIAS-ART |
| Literature Reference Citation | STEROIDS,77,819(2012) |
| Literature Reference DOI | 10.1016/j.steroids.2012.02.016 |
| Molecular Weight | 402.531 g/mol |
| Sample ID | 968861 |
| Solvent | CDCl3 |