| SpectraBase Compound ID | F5Gzdp6f4Z1 |
|---|---|
| InChI | InChI=1S/C25H36O5/c1-6-16-7-8-19-22-21(30-15(3)27)12-17-11-18(29-14(2)26)9-10-24(17,4)23(22)20(28)13-25(16,19)5/h6,12,16,18-23,28H,1,7-11,13H2,2-5H3/t16-,18+,19?,20+,21+,22?,23?,24-,25+/m0/s1 |
| InChIKey | IZVLVRXBACPBKU-IGHODNCPSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C25H36O5 |
| Exact Mass | 416.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 95SpiFX0ZF9 |
|---|---|
| Name | PREGNA-5,20-DIENE-3-ALPHA,7-ALPHA,11-ALPHA-TRIOL-3-ALPHA,7-ALPHA-DIACETATE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H36O5 |
| InChI | InChI=1S/C25H36O5/c1-6-16-7-8-19-22-21(30-15(3)27)12-17-11-18(29-14(2)26)9-10-24(17,4)23(22)20(28)13-25(16,19)5/h6,12,16,18-23,28H,1,7-11,13H2,2-5H3/t16-,18+,19?,20+,21+,22?,23?,24-,25+/m0/s1 |
| InChIKey | IZVLVRXBACPBKU-IGHODNCPSA-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 | 416.558 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWGS111 |