| SpectraBase Compound ID | A2Ut1Txjc2I |
|---|---|
| InChI | InChI=1S/C27H42O5/c1-14-13-31-27(12-21(14)29)15(2)24-22(32-27)11-20-18-6-5-16-9-17(28)10-23(30)26(16,4)19(18)7-8-25(20,24)3/h5,14-15,17-24,28-30H,6-13H2,1-4H3/t14-,15-,17+,18+,19-,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1 |
| InChIKey | MHNJMWLWHYJLNF-IETHUXLKSA-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 | GLFOlqfpuRo |
|---|---|
| Name | CEPAGENIN;(25R)-1-BETA,3-BETA,24-BETA-TRIHYDROXY-SPIROSTAN-5-ENE |
| Compound Number | 69 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42O5 |
| InChI | InChI=1S/C27H42O5/c1-14-13-31-27(12-21(14)29)15(2)24-22(32-27)11-20-18-6-5-16-9-17(28)10-23(30)26(16,4)19(18)7-8-25(20,24)3/h5,14-15,17-24,28-30H,6-13H2,1-4H3/t14-,15-,17+,18+,19-,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1 |
| InChIKey | MHNJMWLWHYJLNF-IETHUXLKSA-N |
| Literature Reference Author | P.K.AGRAWAL,D.C.JAIN,A.K.PATHAK |
| Literature Reference Citation | MAGN.RES.CHEM.,33,923(1995) |
| Literature Reference DOI | 10.1002/mrc.1260331202 |
| Molecular Weight | 446.627 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS22157 |