| SpectraBase Compound ID | F0B2CJ9nRWl |
|---|---|
| InChI | InChI=1S/C25H36O5/c1-5-17-6-7-20-23-21(9-10-24(17,20)4)25(14-29-15(2)26)11-8-19(30-16(3)27)12-18(25)13-22(23)28/h5,13,17,19-23,28H,1,6-12,14H2,2-4H3/t17-,19+,20?,21?,22+,23?,24+,25+/m0/s1 |
| InChIKey | RTLXALQAKKXNKS-HAJVAGMUSA-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 | E8QUgJiuznv |
|---|---|
| Name | PREGNA-5,20-DIENE-3-ALPHA,7-ALPHA,19-TRIOL-3-ALPHA,19-DIACETATE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H36O5 |
| InChI | InChI=1S/C25H36O5/c1-5-17-6-7-20-23-21(9-10-24(17,20)4)25(14-29-15(2)26)11-8-19(30-16(3)27)12-18(25)13-22(23)28/h5,13,17,19-23,28H,1,6-12,14H2,2-4H3/t17-,19+,20?,21?,22+,23?,24+,25+/m0/s1 |
| InChIKey | RTLXALQAKKXNKS-HAJVAGMUSA-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 | UWGS112 |