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(6aS,9S,10aR)-6a,7,8,9,10,10a-hexahydro-1,9-bis(methoxymethoxy)-6,6-dimethyl-6H-benzo[c]chromen-3-yl trifluoromethanesulfonate

View entire compound with spectra: 1 MS (GC)

(6aS,9S,10aR)-6a,7,8,9,10,10a-hexahydro-1,9-bis(methoxymethoxy)-6,6-dimethyl-6H-benzo[c]chromen-3-yl trifluoromethanesulfonate
SpectraBase Compound ID 3vqUhrhOy9T
InChI InChI=1S/C20H27F3O8S/c1-19(2)15-6-5-12(28-10-26-3)7-14(15)18-16(29-11-27-4)8-13(9-17(18)30-19)31-32(24,25)20(21,22)23/h8-9,12,14-15H,5-7,10-11H2,1-4H3/t12-,14+,15+/m0/s1
InChIKey DSUWRMMHYAZEHM-NWANDNLSSA-N
Mol Weight 484.48 g/mol
Molecular Formula C20H27F3O8S
Exact Mass 484.137873 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3YmjYYNJpp1
Name (6aS,9S,10aR)-6a,7,8,9,10,10a-hexahydro-1,9-bis(methoxymethoxy)-6,6-dimethyl-6H-benzo[c]chromen-3-yl trifluoromethanesulfonate
Appearance Clear, colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27F3O8S
InChI InChI=1S/C20H27F3O8S/c1-19(2)15-6-5-12(28-10-26-3)7-14(15)18-16(29-11-27-4)8-13(9-17(18)30-19)31-32(24,25)20(21,22)23/h8-9,12,14-15H,5-7,10-11H2,1-4H3/t12-,14+,15+/m0/s1
InChIKey DSUWRMMHYAZEHM-NWANDNLSSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jm100390h
Molecular Weight 484.483 g/mol
Optical Rotation [a]D23 = -61.8o (c = 0.013, CH2Cl2)
SMILES C1[C@@](C[C@@]2([C@@](C1)(C(Oc1c2c(cc(c1)OS(C(F)(F)F)(=O)=O)OCOC)(C)C)[H])[H])(OCOC)[H]
SPLASH splash10-004i-1019100000-78b6dfda6a0f87973e1b
Source of Spectrum AF-53-SM3-30
Wiley ID 1846189