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(3R,4S,5R) Methyl 3,4,5-tris[(1'-oxo-3'-methyl-2'-penten-1'-yl)oxy]-cyclohex-1-ene-1-carboxylate

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(3R,4S,5R) Methyl 3,4,5-tris[(1'-oxo-3'-methyl-2'-penten-1'-yl)oxy]-cyclohex-1-ene-1-carboxylate
SpectraBase Compound ID IKjuJFegJR4
InChI InChI=1S/C26H36O8/c1-8-16(4)11-22(27)32-20-14-19(26(30)31-7)15-21(33-23(28)12-17(5)9-2)25(20)34-24(29)13-18(6)10-3/h11-14,20-21,25H,8-10,15H2,1-7H3/b16-11+,17-12+,18-13+/t20-,21-,25-/m1/s1
InChIKey XIPWOHDGDLLXEH-LRSSCDCASA-N
Mol Weight 476.6 g/mol
Molecular Formula C26H36O8
Exact Mass 476.241018 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dqtbq8x24Zw
Name (3R,4S,5R) Methyl 3,4,5-tris[(1'-oxo-3'-methyl-2'-penten-1'-yl)oxy]-cyclohex-1-ene-1-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 476.241018111 u
Formula C26H36O8
InChI InChI=1S/C26H36O8/c1-8-16(4)11-22(27)32-20-14-19(26(30)31-7)15-21(33-23(28)12-17(5)9-2)25(20)34-24(29)13-18(6)10-3/h11-14,20-21,25H,8-10,15H2,1-7H3/b16-11+,17-12+,18-13+/t20-,21-,25-/m1/s1
InChIKey XIPWOHDGDLLXEH-LRSSCDCASA-N
Molecular Weight 476.566 g/mol
SMILES C1(=C[C@@](OC(\C=C\(CC)C)=O)([C@]([C@@](C1)(OC(\C=C\(CC)C)=O)[H])(OC(\C=C\(CC)C)=O)[H])[H])C(=O)OC