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(1R,2R,9R,10R,13S)-(E)-7-Benzenesulfonyl-1,5,9-trimethyl-13-(2-methyl[1,3]dioxolan-2-yl)-4-oxatricyclo[10.3.0.0(3,5)]pentadeca-8,14-diene

View entire compound with spectra: 1 MS (GC)

(1R,2R,9R,10R,13S)-(E)-7-Benzenesulfonyl-1,5,9-trimethyl-13-(2-methyl[1,3]dioxolan-2-yl)-4-oxatricyclo[10.3.0.0(3,5)]pentadeca-8,14-diene
SpectraBase Compound ID 9I9Bkktj6CO
InChI InChI=1S/C27H36O5S/c1-19-10-11-22-23(27(4)30-14-15-31-27)12-13-25(22,2)18-24-26(3,32-24)17-21(16-19)33(28,29)20-8-6-5-7-9-20/h5-9,12-13,16,21-24H,10-11,14-15,17-18H2,1-4H3/b19-16+/t21?,22-,23-,24-,25+,26-/m1/s1
InChIKey BJEWUQVMPJCARP-GECWESCASA-N
Mol Weight 472.6 g/mol
Molecular Formula C27H36O5S
Exact Mass 472.228345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LwvWXvtrSfH
Name (1R,2R,9R,10R,13S)-(E)-7-Benzenesulfonyl-1,5,9-trimethyl-13-(2-methyl[1,3]dioxolan-2-yl)-4-oxatricyclo[10.3.0.0(3,5)]pentadeca-8,14-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36O5S
InChI InChI=1S/C27H36O5S/c1-19-10-11-22-23(27(4)30-14-15-31-27)12-13-25(22,2)18-24-26(3,32-24)17-21(16-19)33(28,29)20-8-6-5-7-9-20/h5-9,12-13,16,21-24H,10-11,14-15,17-18H2,1-4H3/b19-16+/t21?,22-,23-,24-,25+,26-/m1/s1
InChIKey BJEWUQVMPJCARP-GECWESCASA-N
Molecular Weight 472.640 g/mol
SMILES [C@]12(O[C@@]2(C[C@]2([C@@]([C@](C3(OCCO3)C)(C=C2)[H])(CC\C(=C\C(S(=O)(=O)c2ccccc2)C1)C)[H])C)[H])C
SPLASH splash10-000i-9000000000-c8158fcbbcc171eff42f
Source of Spectrum F-59-71-27
Synonyms (E)-(1R,3R,5R,12R,13R)-7-Benzenesulfonyl-1,5,9-trimethyl-13-(2-methyl-[1,3]dioxolan-2-yl)-4-oxa-tricyclo[10.3.0.0*3,5*]pentadeca-8,14-diene
Wiley ID 1676630