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(2R,4aS,7aS)-2-hydroxy-2-[3-(3-methoxyphenyl)propyl]-4a,6,6-trimethyl-3,4,7,7a-tetrahydrocyclopenta[b]pyran-5-one
SpectraBase Compound ID BswhZgbWLTf
InChI InChI=1S/C21H30O4/c1-19(2)14-17-20(3,18(19)22)11-12-21(23,25-17)10-6-8-15-7-5-9-16(13-15)24-4/h5,7,9,13,17,23H,6,8,10-12,14H2,1-4H3/t17-,20-,21+/m0/s1
InChIKey HGSUDKSERFDJQB-DZFGPLHGSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HNYGzKvlfYP
Name (2R,4aS,7aS)-2-hydroxy-2-[3-(3-methoxyphenyl)propyl]-4a,6,6-trimethyl-3,4,7,7a-tetrahydrocyclopenta[b]pyran-5-one
Alternate Name(s) (2R,4aS,7aS)-2-[3-(3-methoxyphenyl)propyl]-4a,6,6-trimethyl-2-oxidanyl-3,4,7,7a-tetrahydrocyclopenta[b]pyran-5-one
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Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-19(2)14-17-20(3,18(19)22)11-12-21(23,25-17)10-6-8-15-7-5-9-16(13-15)24-4/h5,7,9,13,17,23H,6,8,10-12,14H2,1-4H3/t17-,20-,21+/m0/s1
InChIKey HGSUDKSERFDJQB-DZFGPLHGSA-N
Molecular Weight 346.467 g/mol
SMILES O[C@]1(CC[C@@]2(C(C(C)(C)C[C@@]2(O1)[H])=O)C)CCCc1cc(OC)ccc1
SPLASH splash10-001l-0900000000-3dba44a3b8d29f9e1922
Source of Spectrum QC-8-3056-7
Wiley ID 870238