John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=EkZqn8sA6cT SpectraBase Spectrum ID=11db002blrE

(accessed ).
LUCENCIMYCIN_D
SpectraBase Compound ID EkZqn8sA6cT
InChI InChI=1S/C34H41NO12S/c1-17-25(46-19(3)37)14-23-22(28(17)40)12-11-20-13-21(9-7-5-6-8-10-27(38)39)34(31(44)33(20,23)4)29(41)26(47-32(34)45)16-48-15-24(30(42)43)35-18(2)36/h5-12,17,20-26,28,40H,13-16H2,1-4H3,(H,35,36)(H,38,39)(H,42,43)/b6-5+,9-7+,10-8+/t17-,20-,21+,22+,23-,24+,25+,26?,28+,33-,34-/m0/s1
InChIKey PTLQDKFYOYMVQN-FQVSFBFASA-N
Mol Weight 687.8 g/mol
Molecular Formula C34H41NO12S
Exact Mass 687.234948 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 11db002blrE
Name LUCENCIMYCIN_E
Compound Number 5
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H41NO12S
InChI InChI=1S/C34H41NO12S/c1-17-25(46-19(3)37)14-23-22(28(17)40)12-11-20-13-21(9-7-5-6-8-10-27(38)39)34(31(44)33(20,23)4)29(41)26(47-32(34)45)16-48-15-24(30(42)43)35-18(2)36/h5-12,17,20-26,28,40H,13-16H2,1-4H3,(H,35,36)(H,38,39)(H,42,43)/b6-5+,9-7+,10-8+/t17-,20-,21+,22+,23-,24+,25+,26?,28+,33-,34-/m0/s1
InChIKey PTLQDKFYOYMVQN-FQVSFBFASA-N
Literature Reference Author S.B.SINGH,D.L.ZINK,K.DORSO,M.MOTYL,O.SALAZAR,A.BASILIO,F.VIC ENTE,K.M.BYRNE,S.HA,
Literature Reference Citation J.NAT.PROD.,72,345(2009)
Literature Reference DOI 10.1021/np8005106
Molecular Weight 687.759 g/mol
Sample ID 32250
Solvent CD3OD
SpectraBase Batch ID 55N30ZNjcFe