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(2S,3S,4R,5S,6Z)-1-Hydroxy-2,3-epoxy-2-methyl-4,5-O-isopropylidene-13-(2'-hexyl-1',3'-dioxolane-2'-yl)-6-ene-4,5-tridecanediol

View entire compound with spectra: 1 MS (GC)

(2S,3S,4R,5S,6Z)-1-Hydroxy-2,3-epoxy-2-methyl-4,5-O-isopropylidene-13-(2'-hexyl-1',3'-dioxolane-2'-yl)-6-ene-4,5-tridecanediol
SpectraBase Compound ID q2c25C96IZ
InChI InChI=1S/C26H46O6/c1-5-6-7-13-16-26(28-18-19-29-26)17-14-11-9-8-10-12-15-21-22(31-24(2,3)30-21)23-25(4,20-27)32-23/h12,15,21-23,27H,5-11,13-14,16-20H2,1-4H3/b15-12-/t21-,22+,23-,25-/m0/s1
InChIKey XFNYZVGXNKVFHE-LNROBFMDSA-N
Mol Weight 454.6 g/mol
Molecular Formula C26H46O6
Exact Mass 454.329439 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HA9pmDua6c1
Name (2S,3S,4R,5S,6Z)-1-Hydroxy-2,3-epoxy-2-methyl-4,5-O-isopropylidene-13-(2'-hexyl-1',3'-dioxolane-2'-yl)-6-ene-4,5-tridecanediol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H46O6
InChI InChI=1S/C26H46O6/c1-5-6-7-13-16-26(28-18-19-29-26)17-14-11-9-8-10-12-15-21-22(31-24(2,3)30-21)23-25(4,20-27)32-23/h12,15,21-23,27H,5-11,13-14,16-20H2,1-4H3/b15-12-/t21-,22+,23-,25-/m0/s1
InChIKey XFNYZVGXNKVFHE-LNROBFMDSA-N
Molecular Weight 454.648 g/mol
SMILES OC[C@]1([C@@](O1)([C@@]1(OC(C)(C)O[C@]1(\C=C/CCCCCCC1(OCCO1)CCCCCC)[H])[H])[H])C
SPLASH splash10-0a4i-2901000000-fc0f529103c749eed703
Source of Spectrum J-65-9118-18
Synonyms [(2S,3S)-3-[(4R,5S)-5-[(Z)-8-(2-hexyl-1,3-dioxolan-2-yl)oct-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-2-oxiranyl]methanol [(2S,3S)-3-[(4R,5S)-5-[(Z)-8-(2-hexyl-1,3-dioxolan-2-yl)oct-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyloxiran-2-yl]methanol
Wiley ID 1534061