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

View entire compound with spectra: 1 MS (GC)

1.beta.,2.alpha.,3,4,4a,9,10,10a.alpha.-octahydro-7-methoxy-1.alpha.,4a.beta.-dimethyl-2.beta.-phenanthrol methanesulfonate
SpectraBase Compound ID 5jE8kqSr3GD
InChI InChI=1S/C18H26O4S/c1-12-15-7-5-13-11-14(21-3)6-8-16(13)18(15,2)10-9-17(12)22-23(4,19)20/h6,8,11-12,15,17H,5,7,9-10H2,1-4H3/t12-,15?,17-,18-/m0/s1
InChIKey GQQVNLMWUZFQAN-JEAHEWRBSA-N
Mol Weight 338.46 g/mol
Molecular Formula C18H26O4S
Exact Mass 338.15518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JBuYJ4wfSBJ
Name 1.beta.,2.alpha.,3,4,4a,9,10,10a.alpha.-octahydro-7-methoxy-1.alpha.,4a.beta.-dimethyl-2.beta.-phenanthrol methanesulfonate
Alternate Name(s) (1S,2S,4aS)-7-methoxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-2-phenanthrenyl methanesulfonate
CAS Registry Number 113998-22-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O4S
InChI InChI=1S/C18H26O4S/c1-12-15-7-5-13-11-14(21-3)6-8-16(13)18(15,2)10-9-17(12)22-23(4,19)20/h6,8,11-12,15,17H,5,7,9-10H2,1-4H3/t12-,15?,17-,18-/m0/s1
InChIKey GQQVNLMWUZFQAN-JEAHEWRBSA-N
Molecular Weight 338.462 g/mol
SMILES [C@@]12(C([C@@](C)([H])[C@@](OS(=O)(=O)C)(CC2)[H])CCc2c1ccc(OC)c2)C
SPLASH splash10-004i-2393000000-9d576aa7968fd4b19def
Source of Spectrum J-53-2596-10
Wiley ID 1333655