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3a,13a-Epoxy-1H-cyclopentacyclododecen-1-ol, dodecahydro-, 4-methylbenzenesulfonate, (1R*,3aS*,13aR*)-
SpectraBase Compound ID IgcqJq4xt4L
InChI InChI=1S/C22H32O4S/c1-18-10-12-19(13-11-18)27(23,24)25-20-14-17-21-15-8-6-4-2-3-5-7-9-16-22(20,21)26-21/h10-13,20H,2-9,14-17H2,1H3/t20-,21+,22-/m1/s1
InChIKey TZEWIXHSTQAJOC-BHIFYINESA-N
Mol Weight 392.6 g/mol
Molecular Formula C22H32O4S
Exact Mass 392.202131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HGX11X8mnEP
Name 3a,13a-Epoxy-1H-cyclopentacyclododecen-1-ol, dodecahydro-, 4-methylbenzenesulfonate, (1R*,3aS*,13aR*)-
CAS Registry Number 65033-33-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O4S
InChI InChI=1S/C22H32O4S/c1-18-10-12-19(13-11-18)27(23,24)25-20-14-17-21-15-8-6-4-2-3-5-7-9-16-22(20,21)26-21/h10-13,20H,2-9,14-17H2,1H3/t20-,21+,22-/m1/s1
InChIKey TZEWIXHSTQAJOC-BHIFYINESA-N
Molecular Weight 392.554 g/mol
SMILES [C@]123O[C@]3(CC[C@]1(OS(c1ccc(cc1)C)(=O)=O)[H])CCCCCCCCCC2
SPLASH splash10-0006-9300000000-68b12a11f033acb05f2c
Source of Spectrum H-60-1976-0
Synonyms c-1,12-epoxybicyclo(10.3.0)pentadec-r-13-yl-(p-toluolsulfonate)
Wiley ID 1365832