| SpectraBase Compound ID | Jd5AMZ6PFci |
|---|---|
| InChI | InChI=1S/C28H38N2O9/c1-14-10-18-24(33)19(13-20(31)25(18)34)30-27(35)15(2)8-7-9-21(37-5)26(39-28(29)36)17(4)12-16(3)23(32)22(11-14)38-6/h7-9,12-14,16,21-23,26,32,34H,10-11H2,1-6H3,(H2,29,36)(H,30,35)/b9-7-,15-8+,17-12+/t14-,16+,21-,22-,23+,26-/m0/s1 |
| InChIKey | KKZJVQQMUCBLHR-KXUVVCLMSA-N |
| Mol Weight | 546.6 g/mol |
| Molecular Formula | C28H38N2O9 |
| Exact Mass | 546.257731 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EiPCtb6Zdx7 |
|---|---|
| Name | 17-O-DEMETHYL-GELDANAMYCIN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H38N2O9 |
| InChI | InChI=1S/C28H38N2O9/c1-14-10-18-24(33)19(13-20(31)25(18)34)30-27(35)15(2)8-7-9-21(37-5)26(39-28(29)36)17(4)12-16(3)23(32)22(11-14)38-6/h7-9,12-14,16,21-23,26,32,34H,10-11H2,1-6H3,(H2,29,36)(H,30,35)/b9-7-,15-8+,17-12+/t14-,16+,21-,22-,23+,26-/m0/s1 |
| InChIKey | KKZJVQQMUCBLHR-KXUVVCLMSA-N |
| Literature Reference Author | Y.S.HONG,D.LEE,W.KIM,J.K.JEONG,C.G.KIM,J.K.SOHNG,J.H.LEE,S.G .PAIK,J.J.LEE |
| Literature Reference Citation | J.AM.CHEM.SOC.,126,11142(2004) |
| Literature Reference DOI | 10.1021/ja047769m |
| Molecular Weight | 546.618 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN31575 |