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(2R,4aS,6S,7aS)-2-hydroxy-2-[3-(3-methoxyphenyl)propyl]-4a,6-dimethyl-4,6,7,7a-tetrahydro-3H-cyclopenta[b]pyran-5-one
SpectraBase Compound ID 5Hyd336wnV2
InChI InChI=1S/C20H28O4/c1-14-12-17-19(2,18(14)21)10-11-20(22,24-17)9-5-7-15-6-4-8-16(13-15)23-3/h4,6,8,13-14,17,22H,5,7,9-12H2,1-3H3/t14-,17-,19-,20+/m0/s1
InChIKey XWGWNXFIGOCDGN-GALXQHASSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ty66yXcDmG
Name (2R,4aS,6S,7aS)-2-hydroxy-2-[3-(3-methoxyphenyl)propyl]-4a,6-dimethyl-4,6,7,7a-tetrahydro-3H-cyclopenta[b]pyran-5-one
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Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-14-12-17-19(2,18(14)21)10-11-20(22,24-17)9-5-7-15-6-4-8-16(13-15)23-3/h4,6,8,13-14,17,22H,5,7,9-12H2,1-3H3/t14-,17-,19-,20+/m0/s1
InChIKey XWGWNXFIGOCDGN-GALXQHASSA-N
Molecular Weight 332.440 g/mol
SMILES O[C@]1(CC[C@]2([C@@](O1)(C[C@@](C2=O)(C)[H])[H])C)CCCc1cc(OC)ccc1
SPLASH splash10-03gr-0904000000-14864e60f6ca6c226aa0
Source of Spectrum QC-11-1120-12
Synonyms (2R,4aS,6S,7aS)-2-[3-(3-methoxyphenyl)propyl]-4a,6-dimethyl-2-oxidanyl-4,6,7,7a-tetrahydro-3H-cyclopenta[b]pyran-5-one
Wiley ID 859702