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3a,13a-Epoxy-1H-cyclopentacyclododecen-1-ol, dodecahydro-2-methyl-, 4-methylbenzenesulfonate, (1R*,2R*,3aS*,13aR*)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

3a,13a-Epoxy-1H-cyclopentacyclododecen-1-ol, dodecahydro-2-methyl-, 4-methylbenzenesulfonate, (1R*,2R*,3aS*,13aR*)-(.+-.)-
SpectraBase Compound ID L9Qi2tg78Iw
InChI InChI=1S/C23H34O4S/c1-18-11-13-20(14-12-18)28(24,25)26-21-19(2)17-22-15-9-7-5-3-4-6-8-10-16-23(21,22)27-22/h11-14,19,21H,3-10,15-17H2,1-2H3/t19-,21-,22+,23-/m1/s1
InChIKey DOKFTGGIWVIVRR-XBYSBRQOSA-N
Mol Weight 406.6 g/mol
Molecular Formula C23H34O4S
Exact Mass 406.217781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CfR1TJFaWwF
Name 3a,13a-Epoxy-1H-cyclopentacyclododecen-1-ol, dodecahydro-2-methyl-, 4-methylbenzenesulfonate, (1R*,2R*,3aS*,13aR*)-(.+-.)-
CAS Registry Number 65033-37-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34O4S
InChI InChI=1S/C23H34O4S/c1-18-11-13-20(14-12-18)28(24,25)26-21-19(2)17-22-15-9-7-5-3-4-6-8-10-16-23(21,22)27-22/h11-14,19,21H,3-10,15-17H2,1-2H3/t19-,21-,22+,23-/m1/s1
InChIKey DOKFTGGIWVIVRR-XBYSBRQOSA-N
Molecular Weight 406.581 g/mol
SMILES [C@]123[C@@](C[C@]([C@]3(OS(c3ccc(cc3)C)(=O)=O)[H])(C)[H])(CCCCCCCCCC2)O1
SPLASH splash10-054o-9820000000-c232d774063447cd87d4
Source of Spectrum H-60-1977-0
Synonyms t-14-methyl-c-1,1i-epoxybicyclo(10.3.0)pentadec-r-13-yl-(p-toluolsulfonate
Wiley ID 1372197