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(3R,3aS,6R,6aS,9S,10R,10aS)-3,6,9-trimethyl-9,10-bis(oxidanyl)-3a,4,5,6,6a,7,8,10-octahydro-3H-benzo[h][1]benzofuran-2-one

View entire compound with spectra: 2 MS (GC)

(3R,3aS,6R,6aS,9S,10R,10aS)-3,6,9-trimethyl-9,10-bis(oxidanyl)-3a,4,5,6,6a,7,8,10-octahydro-3H-benzo[h][1]benzofuran-2-one
SpectraBase Compound ID GW1eISTrFbp
InChI InChI=1S/C15H24O4/c1-8-4-5-11-9(2)12(16)19-15(11)10(8)6-7-14(3,18)13(15)17/h8-11,13,17-18H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14+,15+/m1/s1
InChIKey FONFQQKKCDVNRC-PYRYZLPLSA-N
Mol Weight 268.35 g/mol
Molecular Formula C15H24O4
Exact Mass 268.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7bwUuldEdCE
Name (3R,3aS,6R,6aS,9S,10R,10aS)-3,6,9-trimethyl-9,10-bis(oxidanyl)-3a,4,5,6,6a,7,8,10-octahydro-3H-benzo[h][1]benzofuran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24O4
InChI InChI=1S/C15H24O4/c1-8-4-5-11-9(2)12(16)19-15(11)10(8)6-7-14(3,18)13(15)17/h8-11,13,17-18H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14+,15+/m1/s1
InChIKey FONFQQKKCDVNRC-PYRYZLPLSA-N
Molecular Weight 268.353 g/mol
SMILES O[C@@]1([C@](CC[C@]2([C@@](CC[C@]3([C@](C(O[C@@]123)=O)(C)[H])[H])(C)[H])[H])(O)C)[H]
SPLASH splash10-002b-0900000000-773f7423d3e41af92f96
Source of Spectrum KC-57-8489-1
Synonyms (3R,3aS,6R,6aS,9S,10R,10aS)-9,10-dihydroxy-3,6,9-trimethyl-3a,4,5,6,6a,7,8,10-octahydro-3H-benzo[h]benzofuran-2-one (3R,3aS,6R,6aS,9S,10R,10aS)-9,10-dihydroxy-3,6,9-trimethyl-3a,4,5,6,6a,7,8,10-octahydro-3H-benzo[h][1]benzofuran-2-one
Wiley ID 1626129