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2,5,7-Trimethyl-3-(acetylmethyl)-4-[6'-hydroxycarbonyl-2',4'-dimethyl-3',4'-epoxyhexa-1',5'-dienyl]-6-oxo-4,5,6,7,8,10-hexahydronaphthalene (Hamigerone)

View entire compound with spectra: 1 MS (GC)

2,5,7-Trimethyl-3-(acetylmethyl)-4-[6'-hydroxycarbonyl-2',4'-dimethyl-3',4'-epoxyhexa-1',5'-dienyl]-6-oxo-4,5,6,7,8,10-hexahydronaphthalene (Hamigerone)
SpectraBase Compound ID BG66PdUPJcl
InChI InChI=1S/C25H32O5/c1-13-9-18-10-14(2)23(29)17(5)22(18)20(19(13)12-16(4)26)11-15(3)24-25(6,30-24)8-7-21(27)28/h7-9,11,14,17,20,22,24H,10,12H2,1-6H3,(H,27,28)/b8-7+,15-11+
InChIKey JXLMEPREHWJPBB-XHBXSBNISA-N
Mol Weight 412.5 g/mol
Molecular Formula C25H32O5
Exact Mass 412.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D2WvErcJPFA
Name 2,5,7-Trimethyl-3-(acetylmethyl)-4-[6'-hydroxycarbonyl-2',4'-dimethyl-3',4'-epoxyhexa-1',5'-dienyl]-6-oxo-4,5,6,7,8,10-hexahydronaphthalene (Hamigerone)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32O5
InChI InChI=1S/C25H32O5/c1-13-9-18-10-14(2)23(29)17(5)22(18)20(19(13)12-16(4)26)11-15(3)24-25(6,30-24)8-7-21(27)28/h7-9,11,14,17,20,22,24H,10,12H2,1-6H3,(H,27,28)/b8-7+,15-11+
InChIKey JXLMEPREHWJPBB-XHBXSBNISA-N
Molecular Weight 412.526 g/mol
SMILES OC(\C=C\C1(OC1\C(=C\C1C(=C(C)C=C2C1C(C(C(C)C2)=O)C)CC(=O)C)C)C)=O
SPLASH splash10-0pi4-0790000000-7443662dbd6daf2f2d41
Source of Spectrum SB-51-1244-1
Synonyms (2E)-3-(2-methyl-3-{(E)-1-methyl-2-[3,6,8-trimethyl-7-oxo-2-(2-oxopropyl)-4a,5,6,7,8,8a-hexahydro-1-naphthalenyl]ethenyl}-2-oxiranyl)-2-propenoic acid (E)-3-(2-Methyl-3-{(E)-1-methyl-2-[3,6,8-trimethyl-7-oxo-2-(2-oxo-propyl)-1,5,6,7,8,8a-hexahydro-naphthalen-1-yl]-vinyl}-oxiranyl)-acrylic acid
Wiley ID 1374549