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1,2,4-Cyclopentanetriol, 3-propyl-, 1,4-bis(4-methylbenzenesulfonate), (1.alpha.,2.alpha.,3.beta.,4.alpha.)-(.+-.)-
SpectraBase Compound ID HmBjYEbMt0p
InChI InChI=1S/C22H28O7S2/c1-4-5-19-20(28-30(24,25)17-10-6-15(2)7-11-17)14-21(22(19)23)29-31(26,27)18-12-8-16(3)9-13-18/h6-13,19-23H,4-5,14H2,1-3H3/t19-,20+,21-,22+/m0/s1
InChIKey WBVHRWUQHJJSBN-LNRXMEIDSA-N
Mol Weight 468.58 g/mol
Molecular Formula C22H28O7S2
Exact Mass 468.127646 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9kArYbIryjJ
Name 1,2,4-Cyclopentanetriol, 3-propyl-, 1,4-bis(4-methylbenzenesulfonate), (1.alpha.,2.alpha.,3.beta.,4.alpha.)-(.+-.)-
CAS Registry Number 106470-16-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O7S2
InChI InChI=1S/C22H28O7S2/c1-4-5-19-20(28-30(24,25)17-10-6-15(2)7-11-17)14-21(22(19)23)29-31(26,27)18-12-8-16(3)9-13-18/h6-13,19-23H,4-5,14H2,1-3H3/t19-,20+,21-,22+/m0/s1
InChIKey WBVHRWUQHJJSBN-LNRXMEIDSA-N
Molecular Weight 468.579 g/mol
SMILES O[C@@]1([C@@](CCC)([C@@](C[C@@]1(OS(c1ccc(cc1)C)(=O)=O)[H])(OS(c1ccc(cc1)C)(=O)=O)[H])[H])[H]
SPLASH splash10-0006-6900000000-b443f188e84822c01b2f
Source of Spectrum J-52-869-14
Synonyms (1RS,2RS,3RS,5SR)-2-propyl-3,5-bis[(p-toluene-sulfonyl)oxy]-1-cyclopentanol (1S,2R,3R,4R)-2-hydroxy-4-{[(4-methylphenyl)sulfonyl]oxy}-3-propylcyclopentyl 4-methylbenzenesulfonate
Wiley ID 1392326