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(E,4R,6R)-4-acetoxy-6-[(1R)-2-keto-4-methyl-cyclohex-3-en-1-yl]-2-(4-methylpent-3-enyl)hept-2-enoic acid methyl ester
SpectraBase Compound ID 5N3F7hFpdtm
InChI InChI=1S/C23H34O5/c1-15(2)8-7-9-19(23(26)27-6)14-20(28-18(5)24)13-17(4)21-11-10-16(3)12-22(21)25/h8,12,14,17,20-21H,7,9-11,13H2,1-6H3/b19-14+/t17-,20-,21-/m1/s1
InChIKey IOOSGBGPUOIUSI-LBYCTLCBSA-N
Mol Weight 390.5 g/mol
Molecular Formula C23H34O5
Exact Mass 390.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HwFsvjWZvsJ
Name (E,4R,6R)-4-acetoxy-6-[(1R)-2-keto-4-methyl-cyclohex-3-en-1-yl]-2-(4-methylpent-3-enyl)hept-2-enoic acid methyl ester
CAS Registry Number 112239-51-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34O5
InChI InChI=1S/C23H34O5/c1-15(2)8-7-9-19(23(26)27-6)14-20(28-18(5)24)13-17(4)21-11-10-16(3)12-22(21)25/h8,12,14,17,20-21H,7,9-11,13H2,1-6H3/b19-14+/t17-,20-,21-/m1/s1
InChIKey IOOSGBGPUOIUSI-LBYCTLCBSA-N
Molecular Weight 390.520 g/mol
SMILES C1(C=C(C)CC[C@@]1([C@@](C[C@](\C=C\(C(=O)OC)CCC=C(C)C)(OC(=O)C)[H])(C)[H])[H])=O
SPLASH splash10-03dr-0930000000-cb4527b80d93326de094
Source of Spectrum F-43-3005-2
Synonyms (E,4R,6R)-4-acetyloxy-6-[(1R)-4-methyl-2-oxo-1-cyclohex-3-enyl]-2-(4-methylpent-3-enyl)-2-heptenoic acid methyl ester Methyl (E,4R,6R)-4-acetoxy-6-[(1R)-4-methyl-2-oxo-cyclohex-3-en-1-yl]-2-(4-methylpent-3-enyl)hept-2-enoate Methyl (E,4R,6R)-4-acetyloxy-6-[(1R)-4-methyl-2-oxidanylidene-cyclohex-3-en-1-yl]-2-(4-methylpent-3-enyl)hept-2-enoate Methyl (E,4R,6R)-4-acetyloxy-6-[(1R)-4-methyl-2-oxocyclohex-3-en-1-yl]-2-(4-methylpent-3-enyl)hept-2-enoate
Wiley ID 1364976