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SCLEROTIOTIDE_H;THREO-(2-E,4-E)-CYCLO-[(N-ME-L-ALA)-(N-ME-L-VAL)-(N-ALPHA-6,7-DIHYDROXYOCTA-2,4-DIENOYL-L-ORN)]
SpectraBase Compound ID LU2EPVDAlMt
InChI InChI=1S/C23H38N4O6/c1-14(2)20-23(33)26(5)15(3)21(31)24-13-9-10-17(22(32)27(20)6)25-19(30)12-8-7-11-18(29)16(4)28/h7-8,11-12,14-18,20,28-29H,9-10,13H2,1-6H3,(H,24,31)(H,25,30)/b11-7+,12-8+/t15-,16?,17-,18?,20-/m0/s1
InChIKey DMCVGIKLKNPCAA-HIDOQYIDSA-N
Mol Weight 466.6 g/mol
Molecular Formula C23H38N4O6
Exact Mass 466.279135 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JrlqKEw0v9v
Name SCLEROTIOTIDE_I;ERYTHRO-(2-E,4-E)-CYCLO-[(N-ME-L-ALA)-(N-ME-L-VAL)-(N-ALPHA-6,7-DIHYDROXY-2,4-ENOYL-L-ORN)]
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H38N4O6
InChI InChI=1S/C23H38N4O6/c1-14(2)20-23(33)26(5)15(3)21(31)24-13-9-10-17(22(32)27(20)6)25-19(30)12-8-7-11-18(29)16(4)28/h7-8,11-12,14-18,20,28-29H,9-10,13H2,1-6H3,(H,24,31)(H,25,30)/b11-7+,12-8+/t15-,16?,17-,18?,20-/m0/s1
InChIKey DMCVGIKLKNPCAA-HIDOQYIDSA-N
Literature Reference Author J.ZHENG,Z.XU,Y.WANG,K.HONG,P.LIU,W.ZHU
Literature Reference Citation J.NAT.PROD.,73,1133(2010)
Literature Reference DOI 10.1021/np100198h
Molecular Weight 466.578 g/mol
Sample ID 35713
Solvent DMSO-D6