| SpectraBase Compound ID | fktOWiekoz |
|---|---|
| InChI | InChI=1S/C25H32O6/c1-22-8-5-15(28-13-26)11-14(22)3-4-17-16(22)6-9-23(2)18(12-19-25(17,23)30-19)24-10-7-20(27)29-21(24)31-24/h7,10,13-19,21H,3-6,8-9,11-12H2,1-2H3/t14-,15+,16+,17-,18+,19-,21-,22+,23-,24+,25-/m1/s1 |
| InChIKey | CMYYMVGNLZUIOQ-KBJDYUFJSA-N |
| Mol Weight | 428.5 g/mol |
| Molecular Formula | C25H32O6 |
| Exact Mass | 428.219889 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GDST3oDVp7h |
|---|---|
| Name | 20-S,21-S-EPOXYRESIBUFOGENIN-3-FORMATE;ISOMER_1 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H32O6 |
| InChI | InChI=1S/C25H32O6/c1-22-8-5-15(28-13-26)11-14(22)3-4-17-16(22)6-9-23(2)18(12-19-25(17,23)30-19)24-10-7-20(27)29-21(24)31-24/h7,10,13-19,21H,3-6,8-9,11-12H2,1-2H3/t14-,15+,16+,17-,18+,19-,21-,22+,23-,24+,25-/m1/s1 |
| InChIKey | CMYYMVGNLZUIOQ-KBJDYUFJSA-N |
| Literature Reference Author | T.L.BOOS,K.CHENG,E.GREINER,J.R.DESCHAMPS,A.E.JACOBSON,K.C.RI CE |
| Literature Reference Citation | J.NAT.PROD.,75,661(2012) |
| Literature Reference DOI | 10.1021/np2008957 |
| Molecular Weight | 428.525 g/mol |
| Sample ID | 40270 |
| Solvent | CDCl3 |