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HALYMECIN-A

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HALYMECIN-A
SpectraBase Compound ID ARqmPb0eZKr
InChI InChI=1S/C42H76O14/c1-6-10-14-18-31(44)22-32(45)26-40(50)54-36(20-16-12-8-3)24-34(47)27-41(51)56-37(21-17-13-9-4)28-38(53-30(5)43)29-42(52)55-35(19-15-11-7-2)23-33(46)25-39(48)49/h31-38,44-47H,6-29H2,1-5H3,(H,48,49)/t31-,32+,33+,34+,35+,36+,37+,38+/m1/s1
InChIKey OHOMGNIITZEKKL-LTGHFUFGSA-N
Mol Weight 805.1 g/mol
Molecular Formula C42H76O14
Exact Mass 804.523507 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HI3t7C7ZY4U
Name HALYMECIN-A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H76O14
InChI InChI=1S/C42H76O14/c1-6-10-14-18-31(44)22-32(45)26-40(50)54-36(20-16-12-8-3)24-34(47)27-41(51)56-37(21-17-13-9-4)28-38(53-30(5)43)29-42(52)55-35(19-15-11-7-2)23-33(46)25-39(48)49/h31-38,44-47H,6-29H2,1-5H3,(H,48,49)/t31-,32+,33+,34+,35+,36+,37+,38+/m1/s1
InChIKey OHOMGNIITZEKKL-LTGHFUFGSA-N
Literature Reference Author C.CHEN,N.IMAMURA,M.NISHIJIMA,K.ADACHI,M.SAKAI,H.SANO
Literature Reference Citation J.ANTIBIOTICS,49,998(1996)
Literature Reference DOI 10.7164/antibiotics.49.998
Molecular Weight 805.057 g/mol
Solvent CDCl3:CD3OD=1:1
Source File Reference UWMP53