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5,11-trans-Diethyl-8-[(trifluoromethanesulfonyl)oxy]-5,6,11,12-tetrahydrocyrysen-2-ol
SpectraBase Compound ID Gup1NFfI8qE
InChI InChI=1S/C23H23F3O4S/c1-3-13-9-15-11-17(27)5-7-19(15)21-14(4-2)10-16-12-18(6-8-20(16)22(13)21)30-31(28,29)23(24,25)26/h5-8,11-14,27H,3-4,9-10H2,1-2H3
InChIKey KEZWWFZGCFPSMT-UHFFFAOYSA-N
Mol Weight 452.49 g/mol
Molecular Formula C23H23F3O4S
Exact Mass 452.126915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9lW4K0ahPAS
Name 5,11-trans-Diethyl-8-[(trifluoromethanesulfonyl)oxy]-5,6,11,12-tetrahydrocyrysen-2-ol
Alternate Name(s) 5,11-diethyl-8-hydroxy-5,6,11,12-tetrahydro-2-chrysenyl trifluoromethanesulfonate
CAS Registry Number 138090-11-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H23F3O4S
InChI InChI=1S/C23H23F3O4S/c1-3-13-9-15-11-17(27)5-7-19(15)21-14(4-2)10-16-12-18(6-8-20(16)22(13)21)30-31(28,29)23(24,25)26/h5-8,11-14,27H,3-4,9-10H2,1-2H3
InChIKey KEZWWFZGCFPSMT-UHFFFAOYSA-N
Molecular Weight 452.488 g/mol
SMILES Oc1cc2CC(C=3c4ccc(cc4CC(CC)C3c2cc1)OS(C(F)(F)F)(=O)=O)CC
SPLASH splash10-0gb9-0008900000-d44194b87e9df1d46046
Source of Spectrum J-57-1269-13
Wiley ID 1388211