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CHALCOMYCIN-A
SpectraBase Compound ID 3KHpesFbrbz
InChI InChI=1S/C35H56O14/c1-17-10-13-26(37)46-20(4)22(16-44-34-32(43-9)31(42-8)27(38)21(5)47-34)30-23(48-30)11-12-25(36)35(6,40)15-18(2)29(17)49-33-28(39)24(41-7)14-19(3)45-33/h10-13,17-24,27-34,38-40H,14-16H2,1-9H3/b12-11+,13-10+/t17?,18?,19-,20?,21+,22?,23?,24+,27+,28-,29?,30?,31+,32+,33+,34+,35?/m1/s1
InChIKey KLGADJPDTCIJLO-PKXRYSKMSA-N
Mol Weight 700.8 g/mol
Molecular Formula C35H56O14
Exact Mass 700.367006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7MJBWBG4o4d
Name CHALCOMYCIN-A
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H56O14
InChI InChI=1S/C35H56O14/c1-17-10-13-26(37)46-20(4)22(16-44-34-32(43-9)31(42-8)27(38)21(5)47-34)30-23(48-30)11-12-25(36)35(6,40)15-18(2)29(17)49-33-28(39)24(41-7)14-19(3)45-33/h10-13,17-24,27-34,38-40H,14-16H2,1-9H3/b12-11+,13-10+/t17?,18?,19-,20?,21+,22?,23?,24+,27+,28-,29?,30?,31+,32+,33+,34+,35?/m1/s1
InChIKey KLGADJPDTCIJLO-PKXRYSKMSA-N
Literature Reference Author R.N.ASOLKAR,R.P.MASKEY,E.HELMKE,H.LAATSCH
Literature Reference Citation J.ANTIBIOTICS,55,893(2002)
Literature Reference DOI 10.7164/antibiotics.55.893
Molecular Weight 700.821 g/mol
Solvent CDCl3
Source File Reference UWSI7041