| SpectraBase Compound ID | 2EfSvnLa1MR |
|---|---|
| InChI | InChI=1S/C28H38N2O10/c1-13-9-16-23(33)17(12-18(31)24(16)37-5)30-27(34)15(3)11-21-26(39-21)25(38-6)19(40-28(29)35)8-7-14(2)22(32)20(10-13)36-4/h7-8,11-14,19-22,25-26,32H,9-10H2,1-6H3,(H2,29,35)(H,30,34)/b8-7+,15-11+/t13-,14+,19+,20+,21?,22-,25-,26?/m1/s1 |
| InChIKey | JXBCAJRZOVBHLP-YYDDFYMWSA-N |
| Mol Weight | 562.6 g/mol |
| Molecular Formula | C28H38N2O10 |
| Exact Mass | 562.252645 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DFGftaejE57 |
|---|---|
| Name | 4,5-EPOXY-8-DEMETHYLGELDANAMYCIN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H38N2O10 |
| InChI | InChI=1S/C28H38N2O10/c1-13-9-16-23(33)17(12-18(31)24(16)37-5)30-27(34)15(3)11-21-26(39-21)25(38-6)19(40-28(29)35)8-7-14(2)22(32)20(10-13)36-4/h7-8,11-14,19-22,25-26,32H,9-10H2,1-6H3,(H2,29,35)(H,30,34)/b8-7+,15-11+/t13-,14+,19+,20+,21?,22-,25-,26?/m1/s1 |
| InChIKey | JXBCAJRZOVBHLP-YYDDFYMWSA-N |
| Literature Reference Author | G.O.BUCHANAN,R.REGENTIN,M.PIAGENTINI,A.RASCHER,R.MCDANIEL,J. L.GALAZZO,P.J.LICARI |
| Literature Reference Citation | J.NAT.PROD.,68,607(2005) |
| Literature Reference DOI | 10.1021/np0496744 |
| Molecular Weight | 562.617 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ9381 |