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(3aS,4S,5R,6R,7aR)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2-oxide

View entire compound with spectra: 1 MS (GC)

(3aS,4S,5R,6R,7aR)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2-oxide
SpectraBase Compound ID LmyUIEKvl0Q
InChI InChI=1S/C28H30O6S/c29-35-33-25-16-24(20-30-17-21-10-4-1-5-11-21)26(31-18-22-12-6-2-7-13-22)28(27(25)34-35)32-19-23-14-8-3-9-15-23/h1-15,24-28H,16-20H2/t24-,25-,26-,27-,28+,35?/m1/s1
InChIKey ASTYFLJAHWMYQK-KFTJURPUSA-N
Mol Weight 494.6 g/mol
Molecular Formula C28H30O6S
Exact Mass 494.17631 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2RdtAfQzoLs
Name (3aS,4S,5R,6R,7aR)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2-oxide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30O6S
InChI InChI=1S/C28H30O6S/c29-35-33-25-16-24(20-30-17-21-10-4-1-5-11-21)26(31-18-22-12-6-2-7-13-22)28(27(25)34-35)32-19-23-14-8-3-9-15-23/h1-15,24-28H,16-20H2/t24-,25-,26-,27-,28+,35?/m1/s1
InChIKey ASTYFLJAHWMYQK-KFTJURPUSA-N
Molecular Weight 494.602 g/mol
SMILES [C@]12(OS(O[C@@]1(C[C@@]([C@]([C@@]2(OCc1ccccc1)[H])(OCc1ccccc1)[H])(COCc1ccccc1)[H])[H])=O)[H]
SPLASH splash10-0006-9000000000-91b272b232e5c340b438
Source of Spectrum KC-0-2022-14
Synonyms (3aS,4S,5R,6R,7aR)-4,5-dibenzoxy-6-(benzoxymethyl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2-oxide (3aS,4S,5R,6R,7aR)-4,5-dibenzyloxy-6-(benzyloxymethyl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2-oxide
Wiley ID 781674