| SpectraBase Compound ID | 43i0mqR9VlB |
|---|---|
| InChI | InChI=1S/C21H32O2/c1-4-13-5-6-16-19-17(8-10-20(13,16)2)21(3)9-7-15(22)11-14(21)12-18(19)23/h4,12-13,15-19,22-23H,1,5-11H2,2-3H3/t13-,15+,16?,17?,18+,19?,20+,21-/m0/s1 |
| InChIKey | ZIYIFFNKVNNMTR-MAQBQTGRSA-N |
| Mol Weight | 316.5 g/mol |
| Molecular Formula | C21H32O2 |
| Exact Mass | 316.24023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EJPKsDSUIPb |
|---|---|
| Name | PREGNA-5,20-DIENE-3-ALPHA,7-ALPHA-DIOL |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H32O2 |
| InChI | InChI=1S/C21H32O2/c1-4-13-5-6-16-19-17(8-10-20(13,16)2)21(3)9-7-15(22)11-14(21)12-18(19)23/h4,12-13,15-19,22-23H,1,5-11H2,2-3H3/t13-,15+,16?,17?,18+,19?,20+,21-/m0/s1 |
| InChIKey | ZIYIFFNKVNNMTR-MAQBQTGRSA-N |
| Literature Reference Author | D.R.BEUKES,M.T.DAVIES-COLEMAN,D.S.EGGLESTON,R.C.HALTIWANGER, B.TOMKOWICZ |
| Literature Reference Citation | J.NAT.PROD.,60,573(1997) |
| Literature Reference DOI | 10.1021/np960684h |
| Molecular Weight | 316.484 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWGS114 |