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(3R,3aS,6R,6aS,10S,10aS)-10-hydroxy-3,6-dimethyl-9-methylene-3a,4,5,6,6a,7,8,10-octahydro-3H-benzo[h]benzofuran-2-one
SpectraBase Compound ID 5A9cDLv1Zww
InChI InChI=1S/C15H22O3/c1-8-4-7-12-10(3)14(17)18-15(12)11(8)6-5-9(2)13(15)16/h8,10-13,16H,2,4-7H2,1,3H3/t8-,10-,11+,12+,13+,15+/m1/s1
InChIKey PJCCSJGLHBNKPR-MBICNOSFSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KnHySn2knst
Name (3R,3aS,6R,6aS,10S,10aS)-10-hydroxy-3,6-dimethyl-9-methylene-3a,4,5,6,6a,7,8,10-octahydro-3H-benzo[h]benzofuran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-8-4-7-12-10(3)14(17)18-15(12)11(8)6-5-9(2)13(15)16/h8,10-13,16H,2,4-7H2,1,3H3/t8-,10-,11+,12+,13+,15+/m1/s1
InChIKey PJCCSJGLHBNKPR-MBICNOSFSA-N
Molecular Weight 250.338 g/mol
SMILES O[C@@]1([C@]23OC(=O)[C@@]([C@@]3(CC[C@]([C@@]2(CCC1=C)[H])(C)[H])[H])(C)[H])[H]
SPLASH splash10-03fr-0910000000-49b738ad43d3c9cb25ab
Source of Spectrum F-54-4354-7
Synonyms (3R,3aS,6R,6aS,10S,10aS)-10-hydroxy-3,6-dimethyl-9-methylidene-3a,4,5,6,6a,7,8,10-octahydro-3H-benzo[h][1]benzofuran-2-one (3R,3aS,6R,6aS,10S,10aS)-3,6-dimethyl-9-methylidene-10-oxidanyl-3a,4,5,6,6a,7,8,10-octahydro-3H-benzo[h][1]benzofuran-2-one
Wiley ID 806581