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6.beta.,10.alpha.-.alpha.-Santonin
SpectraBase Compound ID 8WyPfAklAEM
InChI InChI=1S/C15H18O4/c1-8-10(16)5-7-14(2)6-4-9-12(11(8)14)19-13(17)15(9,3)18/h5,7,9,12,18H,4,6H2,1-3H3/t9-,12-,14-,15+/m1/s1
InChIKey GYBXUSIMYWFSFV-VHIFSBLJSA-N
Mol Weight 262.3 g/mol
Molecular Formula C15H18O4
Exact Mass 262.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6VEBc8SyG6F
Name 6.beta.,10.alpha.-.alpha.-Santonin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O4
InChI InChI=1S/C15H18O4/c1-8-10(16)5-7-14(2)6-4-9-12(11(8)14)19-13(17)15(9,3)18/h5,7,9,12,18H,4,6H2,1-3H3/t9-,12-,14-,15+/m1/s1
InChIKey GYBXUSIMYWFSFV-VHIFSBLJSA-N
Molecular Weight 262.305 g/mol
SMILES O[C@]1([C@]2([C@](C3=C(C(=O)C=C[C@]3(CC2)C)C)(OC1=O)[H])[H])C
SPLASH splash10-0aor-9010000000-fa2cbc2ec56d8a3d2bf5
Source of Spectrum F-56-3413-16
Synonyms (3S,3aR,5aR,9bR)-3-hydroxy-3,5a,9-trimethyl-3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran-2,8-dione (3S,3aR,5aR,9bR)-3-hydroxy-3,5a,9-trimethyl-3a,4,5,9b-tetrahydrobenzo[g]benzofuran-2,8-dione (3S,3aR,5aR,9bR)-3,5a,9-trimethyl-3-oxidanyl-3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran-2,8-dione
Wiley ID 857024