For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(S)-((1'S,4a'S,6'S,8a'S)-5',5',8a'-trimethyl-3',5-dioxo-3',4',4a',5',6',7',8',8a'-octahydro-2'H,5H-spiro[furan-2,1'-naphthalene]-6'-yl) 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

View entire compound with spectra: 1 MS (GC)

(S)-((1'S,4a'S,6'S,8a'S)-5',5',8a'-trimethyl-3',5-dioxo-3',4',4a',5',6',7',8',8a'-octahydro-2'H,5H-spiro[furan-2,1'-naphthalene]-6'-yl) 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
SpectraBase Compound ID 6T3kCAbKVtL
InChI InChI=1S/C26H29F3O6/c1-22(2)18-14-17(30)15-24(13-11-20(31)35-24)23(18,3)12-10-19(22)34-21(32)25(33-4,26(27,28)29)16-8-6-5-7-9-16/h5-9,11,13,18-19H,10,12,14-15H2,1-4H3/t18-,19-,23-,24+,25-/m0/s1
InChIKey PWNIZFQBAOBZKG-HKTXXRBESA-N
Mol Weight 494.51 g/mol
Molecular Formula C26H29F3O6
Exact Mass 494.191623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID lzTLdgVHmW
Name (S)-((1'S,4a'S,6'S,8a'S)-5',5',8a'-trimethyl-3',5-dioxo-3',4',4a',5',6',7',8',8a'-octahydro-2'H,5H-spiro[furan-2,1'-naphthalene]-6'-yl) 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Alternate Name(s) (2S,4a'S,6'S,8a'S)-5',5',8a'-trimethyl-3',5-dioxo-3',4',4a',5',6',7',8',8a'-octahydro-2'H,5H-spiro[furan-2,1'-naphthalen]-6'-yl (S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H29F3O6
InChI InChI=1S/C26H29F3O6/c1-22(2)18-14-17(30)15-24(13-11-20(31)35-24)23(18,3)12-10-19(22)34-21(32)25(33-4,26(27,28)29)16-8-6-5-7-9-16/h5-9,11,13,18-19H,10,12,14-15H2,1-4H3/t18-,19-,23-,24+,25-/m0/s1
InChIKey PWNIZFQBAOBZKG-HKTXXRBESA-N
Molecular Weight 494.507 g/mol
SMILES C([C@@](C(O[C@]1(CC[C@@]2(C)[C@](CC(C[C@]22C=CC(=O)O2)=O)([H])C1(C)C)[H])=O)(c1ccccc1)OC)(F)(F)F
SPLASH splash10-000i-0910000000-60777d8c47240280fe60
Source of Spectrum H-87-558-558_5
Wiley ID 1785428