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EPELMYCIN-A
SpectraBase Compound ID 9kYcMB4YjLI
InChI InChI=1S/C42H53NO15/c1-8-42(51)17-26(31-32(35(42)41(50)52-7)39(49)33-34(38(31)48)37(47)30-21(36(33)46)10-9-11-24(30)45)57-29-16-22(43(5)6)40(20(4)55-29)58-28-15-13-25(19(3)54-28)56-27-14-12-23(44)18(2)53-27/h9-11,18-20,22,25-29,35,40,45,48-49,51H,8,12-17H2,1-7H3/t18-,19-,20+,22+,25-,26-,27-,28-,29+,35-,40-,42-/m0/s1
InChIKey GSCMQULDSZTLKO-SQHCRENESA-N
Mol Weight 811.9 g/mol
Molecular Formula C42H53NO15
Exact Mass 811.34152 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CCwUG7AcdAy
Name EPELMYCIN-A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H53NO15
InChI InChI=1S/C42H53NO15/c1-8-42(51)17-26(31-32(35(42)41(50)52-7)39(49)33-34(38(31)48)37(47)30-21(36(33)46)10-9-11-24(30)45)57-29-16-22(43(5)6)40(20(4)55-29)58-28-15-13-25(19(3)54-28)56-27-14-12-23(44)18(2)53-27/h9-11,18-20,22,25-29,35,40,45,48-49,51H,8,12-17H2,1-7H3/t18-,19-,20+,22+,25-,26-,27-,28-,29+,35-,40-,42-/m0/s1
InChIKey GSCMQULDSZTLKO-SQHCRENESA-N
Literature Reference Author O.JOHDO,Y.WATANABE,T.ISHIKURA,A.YOSHIMOTO,H.NAGANAWA,T.SAWA, T.TAKEUCHI
Literature Reference Citation J.ANTIBIOTICS,44,1121(1991)
Literature Reference DOI 10.7164/antibiotics.44.1121
Molecular Weight 811.881 g/mol
Sample ID 66561
Solvent CDCl3