| SpectraBase Compound ID | JuNs4xxG5xQ |
|---|---|
| InChI | InChI=1S/C21H32O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h4-5,14,16-19,22H,1,6-13H2,2-3H3/t14-,16-,17?,18?,19?,20+,21-/m0/s1 |
| InChIKey | AXSZNOPJKXHJAB-KFINNJSGSA-N |
| Mol Weight | 300.5 g/mol |
| Molecular Formula | C21H32O |
| Exact Mass | 300.245316 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LqQzCKabNGg |
|---|---|
| Name | PREGNA-5,20-DIENE-3-BETA-OL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H32O |
| InChI | InChI=1S/C21H32O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h4-5,14,16-19,22H,1,6-13H2,2-3H3/t14-,16-,17?,18?,19?,20+,21-/m0/s1 |
| InChIKey | AXSZNOPJKXHJAB-KFINNJSGSA-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 | 300.484 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWGS109 |