| SpectraBase Compound ID | 72Rg3A0KGlp |
|---|---|
| InChI | InChI=1S/C29H40N2O9/c1-15-10-19-20(14-32)22(33)13-21(26(19)35)31-28(36)16(2)8-7-9-23(38-5)27(40-29(30)37)18(4)12-17(3)25(34)24(11-15)39-6/h7-9,12-13,15,17,23-25,27,32,34H,10-11,14H2,1-6H3,(H2,30,37)(H,31,36)/b9-7-,16-8+,18-12+/t15-,17+,23+,24+,25-,27+/m1/s1 |
| InChIKey | ARMYBYURPGCOIX-NVSRKTRRSA-N |
| Mol Weight | 560.6 g/mol |
| Molecular Formula | C29H40N2O9 |
| Exact Mass | 560.273381 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JiAzvodjyOv |
|---|---|
| Name | 17-HYDROXYMETHYL-17-DEMETHOXY-GELDANAMYCIN;KOSN-1646 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H40N2O9 |
| InChI | InChI=1S/C29H40N2O9/c1-15-10-19-20(14-32)22(33)13-21(26(19)35)31-28(36)16(2)8-7-9-23(38-5)27(40-29(30)37)18(4)12-17(3)25(34)24(11-15)39-6/h7-9,12-13,15,17,23-25,27,32,34H,10-11,14H2,1-6H3,(H2,30,37)(H,31,36)/b9-7-,16-8+,18-12+/t15-,17+,23+,24+,25-,27+/m1/s1 |
| InChIKey | ARMYBYURPGCOIX-NVSRKTRRSA-N |
| Literature Reference Author | Z.HU,Y.LIU,Z.Q.TIAN,W.MA,C.M.STARKAS,R.REGENTIN,P.LICARI,D.C .MYLES,C.R.HUTCHINSO |
| Literature Reference Citation | J.ANTIBIOTICS,57,421(2004) |
| Literature Reference DOI | 10.7164/antibiotics.57.421 |
| Molecular Weight | 560.645 g/mol |
| Sample ID | 65759 |
| Solvent | CDCl3 |