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(Z)-(1SR,3SR,5RS,6RS,7RS)-6-hydroxy-7-[7-(triphenylmethoxy)-2-heptenyl]-3-phenyl-2,4-dithiabicyclo[3.2.1]octane
SpectraBase Compound ID 2eTLTfr57ZQ
InChI InChI=1S/C38H40O2S2/c39-36-33(34-28-35(36)42-37(41-34)29-18-8-4-9-19-29)26-16-2-1-3-17-27-40-38(30-20-10-5-11-21-30,31-22-12-6-13-23-31)32-24-14-7-15-25-32/h2,4-16,18-25,33-37,39H,1,3,17,26-28H2/b16-2+/t33-,34-,35-,36+,37?/m1/s1
InChIKey XWBUGDMQJIMQQD-NQEKTBLKSA-N
Mol Weight 592.9 g/mol
Molecular Formula C38H40O2S2
Exact Mass 592.246973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JqbWSaGqzgu
Name (Z)-(1SR,3SR,5RS,6RS,7RS)-6-hydroxy-7-[7-(triphenylmethoxy)-2-heptenyl]-3-phenyl-2,4-dithiabicyclo[3.2.1]octane
CAS Registry Number 106565-07-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H40O2S2
InChI InChI=1S/C38H40O2S2/c39-36-33(34-28-35(36)42-37(41-34)29-18-8-4-9-19-29)26-16-2-1-3-17-27-40-38(30-20-10-5-11-21-30,31-22-12-6-13-23-31)32-24-14-7-15-25-32/h2,4-16,18-25,33-37,39H,1,3,17,26-28H2/b16-2+/t33-,34-,35-,36+,37?/m1/s1
InChIKey XWBUGDMQJIMQQD-NQEKTBLKSA-N
Molecular Weight 592.856 g/mol
SMILES O[C@]1([C@@]([C@@]2(SC(S[C@@]1(C2)[H])c1ccccc1)[H])(C\C=C\CCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1)[H])[H]
SPLASH splash10-0002-0009050000-da7307593ca2e9445c8d
Source of Spectrum J-52-874-37
Synonyms 3-phenyl-7-[(2E)-7-(trityloxy)-2-heptenyl]-2,4-dithiabicyclo[3.2.1]octan-6-ol
Wiley ID 1409531