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2H-3,9a-Methano-1-benzoxepin-5,6,7-triol, octahydro-2,2,5a,9-tetramethyl-, (3.alpha.,5.beta.,5a.alpha.,6.alpha.,7.alpha.,9.alpha.,9a.alpha.)-(.+-.)-
SpectraBase Compound ID DixGy43xVa0
InChI InChI=1S/C15H26O4/c1-8-5-10(16)12(18)14(4)11(17)6-9-7-15(8,14)19-13(9,2)3/h8-12,16-18H,5-7H2,1-4H3/t8-,9-,10+,11+,12+,14-,15-/m1/s1
InChIKey DNKWNWHMKFXSSE-XZAZFYCNSA-N
Mol Weight 270.37 g/mol
Molecular Formula C15H26O4
Exact Mass 270.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CmPg2T7bW1Y
Name 2H-3,9a-Methano-1-benzoxepin-5,6,7-triol, octahydro-2,2,5a,9-tetramethyl-, (3.alpha.,5.beta.,5a.alpha.,6.alpha.,7.alpha.,9.alpha.,9a.alpha.)-(.+-.)-
CAS Registry Number 88764-00-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H26O4
InChI InChI=1S/C15H26O4/c1-8-5-10(16)12(18)14(4)11(17)6-9-7-15(8,14)19-13(9,2)3/h8-12,16-18H,5-7H2,1-4H3/t8-,9-,10+,11+,12+,14-,15-/m1/s1
InChIKey DNKWNWHMKFXSSE-XZAZFYCNSA-N
Molecular Weight 270.369 g/mol
SMILES O[C@]1(C[C@]2(C(O[C@]3([C@]1([C@]([C@](C[C@]3(C)[H])(O)[H])(O)[H])C)C2)(C)C)[H])[H]
SPLASH splash10-0670-0920000000-35be3ee01fde0d4fe597
Source of Spectrum F-43-5564-0
Synonyms (+-)-Isocelorbicol (+-)-Isocelorbicol and 4-epiisocelorbicol (.+-.)-Isocelorbicol (1R,2R,4S,5R,6R,7S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0(1,6)]dodecane-4,5,7-triol
Wiley ID 1274209