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(2E,6E,10E)-13-[(2R,3R)-3-(hydroxymethyl)-3-methyl-oxiran-2-yl]-3,7,11-trimethyl-9-(phenylsulfonyl)trideca-2,6,10-trien-1-ol

View entire compound with spectra: 1 MS (GC)

(2E,6E,10E)-13-[(2R,3R)-3-(hydroxymethyl)-3-methyl-oxiran-2-yl]-3,7,11-trimethyl-9-(phenylsulfonyl)trideca-2,6,10-trien-1-ol
SpectraBase Compound ID L8Lm0IAdfTl
InChI InChI=1S/C26H38O5S/c1-20(15-16-27)9-8-10-21(2)17-24(32(29,30)23-11-6-5-7-12-23)18-22(3)13-14-25-26(4,19-28)31-25/h5-7,10-12,15,18,24-25,27-28H,8-9,13-14,16-17,19H2,1-4H3/b20-15+,21-10+,22-18+/t24?,25-,26-/m1/s1
InChIKey UDALUAWMENSOED-JMSCGROYSA-N
Mol Weight 462.6 g/mol
Molecular Formula C26H38O5S
Exact Mass 462.243995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KxjXkf0B5T3
Name (2E,6E,10E)-13-[(2R,3R)-3-(hydroxymethyl)-3-methyl-oxiran-2-yl]-3,7,11-trimethyl-9-(phenylsulfonyl)trideca-2,6,10-trien-1-ol
Alternate Name(s) (2E,6E,10E)-9-(benzenesulfonyl)-13-[(2R,3R)-3-(hydroxymethyl)-3-methyl-2-oxiranyl]-3,7,11-trimethyl-1-trideca-2,6,10-trienol (2E,6E,10E)-9-(benzenesulfonyl)-13-[(2R,3R)-3-(hydroxymethyl)-3-methyl-oxiran-2-yl]-3,7,11-trimethyl-trideca-2,6,10-trien-1-ol (2E,6E,10E)-9-besyl-3,7,11-trimethyl-13-[(2R,3R)-3-methyl-3-methylol-oxiran-2-yl]trideca-2,6,10-trien-1-ol
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Formula C26H38O5S
InChI InChI=1S/C26H38O5S/c1-20(15-16-27)9-8-10-21(2)17-24(32(29,30)23-11-6-5-7-12-23)18-22(3)13-14-25-26(4,19-28)31-25/h5-7,10-12,15,18,24-25,27-28H,8-9,13-14,16-17,19H2,1-4H3/b20-15+,21-10+,22-18+/t24?,25-,26-/m1/s1
InChIKey UDALUAWMENSOED-JMSCGROYSA-N
Molecular Weight 462.645 g/mol
SMILES OC[C@@]1([C@@](CC\C(=C\C(C\C(=C\CC\C(=C\CO)C)C)S(=O)(=O)c2ccccc2)C)(O1)[H])C
SPLASH splash10-0006-9300000000-177000464e06740a4391
Source of Spectrum QC-10-1881-12
Wiley ID 871341