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6-Methoxy-2-{(1S,2S)-2-[(E)-3-(4-methoxy-phenyl)-allyl]-2-methyl-3-oxo-cyclopentyl}-3,4-dihydro-2H-naphthalen-1-one
SpectraBase Compound ID DT6xdwQRAd
InChI InChI=1S/C27H30O4/c1-27(16-4-5-18-6-9-20(30-2)10-7-18)24(14-15-25(27)28)23-12-8-19-17-21(31-3)11-13-22(19)26(23)29/h4-7,9-11,13,17,23-24H,8,12,14-16H2,1-3H3/b5-4+/t23?,24-,27-/m0/s1
InChIKey PCISLUHEQKQMFP-BRTGOCMESA-N
Mol Weight 418.53 g/mol
Molecular Formula C27H30O4
Exact Mass 418.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FOwCXFlEi7k
Name 6-Methoxy-2-{(1S,2S)-2-[(E)-3-(4-methoxy-phenyl)-allyl]-2-methyl-3-oxo-cyclopentyl}-3,4-dihydro-2H-naphthalen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30O4
InChI InChI=1S/C27H30O4/c1-27(16-4-5-18-6-9-20(30-2)10-7-18)24(14-15-25(27)28)23-12-8-19-17-21(31-3)11-13-22(19)26(23)29/h4-7,9-11,13,17,23-24H,8,12,14-16H2,1-3H3/b5-4+/t23?,24-,27-/m0/s1
InChIKey PCISLUHEQKQMFP-BRTGOCMESA-N
Molecular Weight 418.533 g/mol
SMILES C1(C([C@]2([C@@](C(=O)CC2)(C\C=C\c2ccc(cc2)OC)C)[H])CCc2c1ccc(OC)c2)=O
SPLASH splash10-0002-0900100000-51083fed1ada06462aa1
Source of Spectrum F-62-1735-38
Synonyms 6-Methoxy-2-[2-methyl-3-oxo-2-(3-phenylallyl)cyclopentyl]-3,4-dihydro-2H-naphthalen-1-one 6-Methoxy-2-{(1S,2S)-2-[(2E)-3-(4-methoxyphenyl)-2-propenyl]-2-methyl-3-oxocyclopentyl}-3,4-dihydro-1(2H)-naphthalenone
Wiley ID 1632316