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4,5-DIHYDRO-7-O-DESCARBAMOYL-7-HYDROXY-17-O-DEMETHYL-GELDANAMYCIN
SpectraBase Compound ID 30XjPJBsVgH
InChI InChI=1S/C27H39NO8/c1-14-10-18-25(32)19(13-20(29)26(18)33)28-27(34)15(2)8-7-9-21(35-5)23(30)16(3)12-17(4)24(31)22(11-14)36-6/h8,12-14,17,21-24,30-31,33H,7,9-11H2,1-6H3,(H,28,34)/b15-8-,16-12+/t14-,17+,21-,22-,23-,24+/m0/s1
InChIKey CPUVHGNWQSEBIV-OVNYFZATSA-N
Mol Weight 505.6 g/mol
Molecular Formula C27H39NO8
Exact Mass 505.267567 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ES9rzrEGMhf
Name 4,5-DIHYDRO-7-O-DESCARBAMOYL-7-HYDROXY-17-O-DEMETHYL-GELDANAMYCIN
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H39NO8
InChI InChI=1S/C27H39NO8/c1-14-10-18-25(32)19(13-20(29)26(18)33)28-27(34)15(2)8-7-9-21(35-5)23(30)16(3)12-17(4)24(31)22(11-14)36-6/h8,12-14,17,21-24,30-31,33H,7,9-11H2,1-6H3,(H,28,34)/b15-8-,16-12+/t14-,17+,21-,22-,23-,24+/m0/s1
InChIKey CPUVHGNWQSEBIV-OVNYFZATSA-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 505.609 g/mol
Solvent CDCl3
Source File Reference UWVN31577