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CHIP-0339;2'-[O-(BETA-D-GLUCOPYRANOSYL)]-CHALCOMYCIN
SpectraBase Compound ID HY0SwkKcRVE
InChI InChI=1S/C41H66O19/c1-18-10-13-28(44)55-21(4)23(17-53-39-37(52-9)36(51-8)29(45)22(5)56-39)34-24(57-34)11-12-27(43)41(6,49)15-19(2)33(18)59-40-35(25(50-7)14-20(3)54-40)60-38-32(48)31(47)30(46)26(16-42)58-38/h10-13,18-26,29-40,42,45-49H,14-17H2,1-9H3/b12-11+,13-10+/t18-,19-,20+,21+,22+,23+,24+,25-,26+,29+,30+,31-,32+,33+,34-,35+,36+,37+,38-,39+,40-,41-/m0/s1
InChIKey JADNABKTNSNYAU-GYIMXBKHSA-N
Mol Weight 863.0 g/mol
Molecular Formula C41H66O19
Exact Mass 862.41983 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9HuvbliGiOI
Name CHIP-0339;2'-[O-(BETA-D-GLUCOPYRANOSYL)]-CHALCOMYCIN
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H66O19
InChI InChI=1S/C41H66O19/c1-18-10-13-28(44)55-21(4)23(17-53-39-37(52-9)36(51-8)29(45)22(5)56-39)34-24(57-34)11-12-27(43)41(6,49)15-19(2)33(18)59-40-35(25(50-7)14-20(3)54-40)60-38-32(48)31(47)30(46)26(16-42)58-38/h10-13,18-26,29-40,42,45-49H,14-17H2,1-9H3/b12-11+,13-10+/t18-,19-,20+,21+,22+,23+,24+,25-,26+,29+,30+,31-,32+,33+,34-,35+,36+,37+,38-,39+,40-,41-/m0/s1
InChIKey JADNABKTNSNYAU-GYIMXBKHSA-N
Literature Reference Author N.MORISAKI,Y.HASHIMOTO,K.FURIHATA,K.YAZAWA,M.TAMURA,Y.MIKAMI
Literature Reference Citation J.ANTIBIOTICS,54,157(2001)
Literature Reference DOI 10.7164/antibiotics.54.157
Molecular Weight 862.964 g/mol
Solvent CDCl3
Source File Reference UWSI1422