| SpectraBase Compound ID | JSQjo5bbeEx |
|---|---|
| InChI | InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,16-9+,18-13+ |
| InChIKey | QTQAWLPCGQOSGP-RKOUBUDQSA-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 | F6wlqC5qaUP |
|---|---|
| Name | Geldanamycin |
| CAS Registry Number | 30562-34-6 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C29H40N2O9 |
| InChI | InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,16-9+,18-13+ |
| InChIKey | QTQAWLPCGQOSGP-RKOUBUDQSA-N |
| Literature Reference | A. Haber, R.D. Johnson, K.L. Rinehart, J. Am. Chem. Soc. 99, 3541 (1977). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | DMSO-D6 |