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DIACARNOXIDE_A;(2-S*)-METHYL-2-((3-R*,6-S*)-6-(6-(2,2-DIMETHYL-4-METHYLHEXYL)-6-METHYLENECYCLOHEXYL)-6-METHYL-1,2-DIOXAN-3-YL)-PROPANOATE

View entire compound with spectra: 1 NMR

DIACARNOXIDE_A;(2-S*)-METHYL-2-((3-R*,6-S*)-6-(6-(2,2-DIMETHYL-4-METHYLHEXYL)-6-METHYLENECYCLOHEXYL)-6-METHYL-1,2-DIOXAN-3-YL)-PROPANOATE
SpectraBase Compound ID TRwQP1oEeh
InChI InChI=1S/C25H44O4/c1-18(12-13-21-19(2)11-9-15-24(21,4)5)10-8-16-25(6)17-14-22(28-29-25)20(3)23(26)27-7/h18,20-22H,2,8-17H2,1,3-7H3/t18?,20-,21?,22+,25-/m0/s1
InChIKey QBFWTWXSXJFPRL-YDXGDARJSA-N
Mol Weight 408.6 g/mol
Molecular Formula C25H44O4
Exact Mass 408.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IZMNhXCddVX
Name DIACARNOXIDE_A;(2-S*)-METHYL-2-((3-R*,6-S*)-6-(6-(2,2-DIMETHYL-4-METHYLHEXYL)-6-METHYLENECYCLOHEXYL)-6-METHYL-1,2-DIOXAN-3-YL)-PROPANOATE
Compound Number 1
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H44O4
InChI InChI=1S/C25H44O4/c1-18(12-13-21-19(2)11-9-15-24(21,4)5)10-8-16-25(6)17-14-22(28-29-25)20(3)23(26)27-7/h18,20-22H,2,8-17H2,1,3-7H3/t18?,20-,21?,22+,25-/m0/s1
InChIKey QBFWTWXSXJFPRL-YDXGDARJSA-N
Literature Reference Author J.DAI,Y.LIU,Y.D.ZHOU,D.G.NAGLE
Literature Reference Citation J.NAT.PROD.,70,130(2007)
Literature Reference DOI 10.1021/np0604883
Molecular Weight 408.622 g/mol
Sample ID 29464
Solvent CDCl3