| SpectraBase Compound ID | tUyhpRqYF1 |
|---|---|
| InChI | InChI=1S/C23H36O5/c1-5-14-18(25)10-17-13-6-7-16-20(26)21(27)19(28-12(2)24)11-23(16,4)15(13)8-9-22(14,17)3/h13-17,19-21,26-27H,5-11H2,1-4H3/t13-,14+,15+,16+,17+,19+,20-,21+,22-,23-/m1/s1 |
| InChIKey | SCCGQICCMKBLST-CEQIMMHESA-N |
| Mol Weight | 392.5 g/mol |
| Molecular Formula | C23H36O5 |
| Exact Mass | 392.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6fQRkyzZdbT |
|---|---|
| Name | 3-BETA,4-BETA-DIHYDROXY-2-BETA-ACETOXYPREGNAN-16-ONE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H36O5 |
| InChI | InChI=1S/C23H36O5/c1-5-14-18(25)10-17-13-6-7-16-20(26)21(27)19(28-12(2)24)11-23(16,4)15(13)8-9-22(14,17)3/h13-17,19-21,26-27H,5-11H2,1-4H3/t13-,14+,15+,16+,17+,19+,20-,21+,22-,23-/m1/s1 |
| InChIKey | SCCGQICCMKBLST-CEQIMMHESA-N |
| Literature Reference Author | L.G.LIN,C.P.TANG,C.Q.KE,Y.ZHANG,Y.YE |
| Literature Reference Citation | J.NAT.PROD.,71,628(2008) |
| Literature Reference DOI | 10.1021/np070674o |
| Molecular Weight | 392.536 g/mol |
| Sample ID | 28138 |
| Solvent | CDCl3 |