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4-Hydroxy-6-(2-methyl-4-dimethylamino-5-hydroxy-1-oxacyclohexyloxy)-7-(formylmethyl)-16-ethyl-5,9,13,15-tetramethyl-13,14-epoxy-1-oxacyclohexadeca-11-en-2,10-dione

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-Hydroxy-6-(2-methyl-4-dimethylamino-5-hydroxy-1-oxacyclohexyloxy)-7-(formylmethyl)-16-ethyl-5,9,13,15-tetramethyl-13,14-epoxy-1-oxacyclohexadeca-11-en-2,10-dione
SpectraBase Compound ID AswSJB6Bvr4
InChI InChI=1S/C31H51NO9/c1-9-26-20(4)29-30(5,41-29)12-10-23(34)18(2)14-21(11-13-33)28(19(3)24(35)15-27(37)39-26)40-31(6)16-22(32(7)8)25(36)17-38-31/h10,12-13,18-22,24-26,28-29,35-36H,9,11,14-17H2,1-8H3/b12-10-
InChIKey MGQSBGASDYERTA-BENRWUELSA-N
Mol Weight 581.7 g/mol
Molecular Formula C31H51NO9
Exact Mass 581.356382 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3yDIGqphvtv
Name 4-Hydroxy-6-(2-methyl-4-dimethylamino-5-hydroxy-1-oxacyclohexyloxy)-7-(formylmethyl)-16-ethyl-5,9,13,15-tetramethyl-13,14-epoxy-1-oxacyclohexadeca-11-en-2,10-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 581.356382217 u
Formula C31H51NO9
InChI InChI=1S/C31H51NO9/c1-9-26-20(4)29-30(5,41-29)12-10-23(34)18(2)14-21(11-13-33)28(19(3)24(35)15-27(37)39-26)40-31(6)16-22(32(7)8)25(36)17-38-31/h10,12-13,18-22,24-26,28-29,35-36H,9,11,14-17H2,1-8H3/b12-10-
InChIKey MGQSBGASDYERTA-BENRWUELSA-N
Molecular Weight 581.747 g/mol
SMILES C12(OC2C(C(OC(CC(O)C(C(C(CC(C(\C=C/1)=O)C)CC=O)OC1(CC(N(C)C)C(CO1)O)C)C)=O)CC)C)C