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(3aR,4aR,5S,8aR,9aR)-5,8a-dimethyl-5-oxidanyl-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one
SpectraBase Compound ID D9lbmbkTv16
InChI InChI=1S/C14H22O3/c1-13-4-3-5-14(2,16)11(13)6-9-7-12(15)17-10(9)8-13/h9-11,16H,3-8H2,1-2H3/t9-,10-,11-,13-,14+/m1/s1
InChIKey MAVRRWVRYQJEPB-XMKDAVRRSA-N
Mol Weight 238.33 g/mol
Molecular Formula C14H22O3
Exact Mass 238.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 89vSd7FfKNL
Name (3aR,4aR,5S,8aR,9aR)-5,8a-dimethyl-5-oxidanyl-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one
Alternate Name(s) (3aR,4aR,5S,8aR,9aR)-5-hydroxy-5,8a-dimethyl-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one (3aR,4aR,5S,8aR,9aR)-5-hydroxy-5,8a-dimethyl-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O3
InChI InChI=1S/C14H22O3/c1-13-4-3-5-14(2,16)11(13)6-9-7-12(15)17-10(9)8-13/h9-11,16H,3-8H2,1-2H3/t9-,10-,11-,13-,14+/m1/s1
InChIKey MAVRRWVRYQJEPB-XMKDAVRRSA-N
Molecular Weight 238.327 g/mol
SMILES O[C@@]1([C@]2([C@@](C[C@]3(OC(=O)C[C@]3(C2)[H])[H])(CCC1)C)[H])C
SPLASH splash10-0uk9-9720000000-7bf85fe97a62fdaec646
Source of Spectrum KC-1993-246-41
Wiley ID 778862