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EPICOCCAMIDE_D;5-HYDROXY-1,2-DIMETHYL-4-[2-METHYL-18-BETA-D-MANNOPYRANOSYLOCTADECANOYL]-1-H-PYRROL-3-(2-H)-ONE
SpectraBase Compound ID 9uftrFtxuvq
InChI InChI=1S/C31H55NO9/c1-21(25(34)24-26(35)22(2)32(3)30(24)39)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-40-31-29(38)28(37)27(36)23(20-33)41-31/h21-23,27-29,31,33,36-39H,4-20H2,1-3H3/t21?,22?,23-,27-,28+,29+,31-/m0/s1
InChIKey SESJSJKBVQSHHU-JGFVWWPLSA-N
Mol Weight 585.8 g/mol
Molecular Formula C31H55NO9
Exact Mass 585.387682 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jbb3PQHoSFx
Name EPICOCCAMIDE_D;5-HYDROXY-1,2-DIMETHYL-4-[2-METHYL-18-BETA-D-MANNOPYRANOSYLOCTADECANOYL]-1-H-PYRROL-3-(2-H)-ONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H55NO9
InChI InChI=1S/C31H55NO9/c1-21(25(34)24-26(35)22(2)32(3)30(24)39)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-40-31-29(38)28(37)27(36)23(20-33)41-31/h21-23,27-29,31,33,36-39H,4-20H2,1-3H3/t21?,22?,23-,27-,28+,29+,31-/m0/s1
InChIKey SESJSJKBVQSHHU-JGFVWWPLSA-N
Literature Reference Author H.V.K.WANGUN,H.M.DAHSE,C.HERTWECK
Literature Reference Citation J.NAT.PROD.,70,1800(2007)
Literature Reference DOI 10.1021/np070245q
Molecular Weight 585.779 g/mol
Sample ID 31079
Solvent CDCl3