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1.beta.,2.beta.,3.beta.,4,4a,9,10,10a.alpha.-octahydro-7-methoxy-1.alpha.,4a.beta.-dimethyl-2.alpha.,3.alpha.-epoxyphenanthrene

View entire compound with spectra: 1 MS (GC)

1.beta.,2.beta.,3.beta.,4,4a,9,10,10a.alpha.-octahydro-7-methoxy-1.alpha.,4a.beta.-dimethyl-2.alpha.,3.alpha.-epoxyphenanthrene
SpectraBase Compound ID 6eArQgoo85V
InChI InChI=1S/C17H22O2/c1-10-15-12-5-4-6-13(18-3)11(12)7-8-17(15,2)9-14-16(10)19-14/h4,6-8,10,12,14-16H,5,9H2,1-3H3/t10-,12+,14+,15?,16-,17-/m1/s1
InChIKey LGUQYBQWSXYKBW-DKNURUPQSA-N
Mol Weight 258.36 g/mol
Molecular Formula C17H22O2
Exact Mass 258.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E5UhtmMMBRm
Name 1.beta.,2.beta.,3.beta.,4,4a,9,10,10a.alpha.-octahydro-7-methoxy-1.alpha.,4a.beta.-dimethyl-2.alpha.,3.alpha.-epoxyphenanthrene
CAS Registry Number 113998-25-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O2
InChI InChI=1S/C17H22O2/c1-10-15-12-5-4-6-13(18-3)11(12)7-8-17(15,2)9-14-16(10)19-14/h4,6-8,10,12,14-16H,5,9H2,1-3H3/t10-,12+,14+,15?,16-,17-/m1/s1
InChIKey LGUQYBQWSXYKBW-DKNURUPQSA-N
Molecular Weight 258.361 g/mol
SMILES [C@@]12(O[C@]1(C[C@]1(C=CC=3[C@@](C1[C@]2(C)[H])(CC=CC3OC)[H])C)[H])[H]
SPLASH splash10-0006-0190000000-e15239866f1424c9d938
Source of Spectrum J-53-2596-13
Synonyms (6aS,7aS,8aR,9R,9bR)-4-methoxy-6a,9-dimethyl-1,6a,7,7a,8a,9,9a,9b-octahydrophenanthro[2,3-b]oxirene (6aS,7aS,8aR,9R,9bR)-6a,9-dimethyl-1,6a,7,7a,8a,9,9a,9b-octahydrophenanthro[2,3-b]oxiren-4-yl methyl ether
Wiley ID 1262181