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1,3-Cyclopentanediol, 4-(methoxymethoxy)-5-[7-(methoxymethoxy)-2-heptenyl]-, bis(4-methylbenzenesulfonate), [1.alpha.,3.alpha.,4.alpha.,5.beta.(Z)]-(.+-.)-
SpectraBase Compound ID 84yt8kBDgrW
InChI InChI=1S/C30H42O10S2/c1-23-11-15-25(16-12-23)41(31,32)39-28-20-29(40-42(33,34)26-17-13-24(2)14-18-26)30(38-22-36-4)27(28)10-8-6-5-7-9-19-37-21-35-3/h6,8,11-18,27-30H,5,7,9-10,19-22H2,1-4H3/b8-6-/t27-,28+,29-,30+/m0/s1
InChIKey HQLBPFUWHQRUKB-ISSYOXCDSA-N
Mol Weight 626.8 g/mol
Molecular Formula C30H42O10S2
Exact Mass 626.22194 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7D1ftG3YYs0
Name 1,3-Cyclopentanediol, 4-(methoxymethoxy)-5-[7-(methoxymethoxy)-2-heptenyl]-, bis(4-methylbenzenesulfonate), [1.alpha.,3.alpha.,4.alpha.,5.beta.(Z)]-(.+-.)-
CAS Registry Number 106502-63-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H42O10S2
InChI InChI=1S/C30H42O10S2/c1-23-11-15-25(16-12-23)41(31,32)39-28-20-29(40-42(33,34)26-17-13-24(2)14-18-26)30(38-22-36-4)27(28)10-8-6-5-7-9-19-37-21-35-3/h6,8,11-18,27-30H,5,7,9-10,19-22H2,1-4H3/b8-6-/t27-,28+,29-,30+/m0/s1
InChIKey HQLBPFUWHQRUKB-ISSYOXCDSA-N
Molecular Weight 626.776 g/mol
SMILES [C@@]1(OS(c2ccc(cc2)C)(=O)=O)(C[C@@](OS(c2ccc(cc2)C)(=O)=O)([C@@]([C@]1(OCOC)[H])(C\C=C/CCCCOCOC)[H])[H])[H]
SPLASH splash10-002b-9000000000-e2f770e9fb68b5117059
Source of Spectrum J-52-871-25
Synonyms (1R,2R,3R,4S)-3-(methoxymethoxy)-2-[(2Z)-7-(methoxymethoxy)-2-heptenyl]-4-{[(4-methylphenyl)sulfonyl]oxy}cyclopentyl 4-methylbenzenesulfonate (Z)-(1SR,2RS,3RS,4RS)-2-(2-oxapropyloxy)-3-(8,10-dioxa-2-undecenyl)-1,4-bis[(p-toluenesulfonyl)oxy]cyclopentane
Wiley ID 1411868