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Geldanamycin
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

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