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(5S,8S)-1-(Benzoyloxy)-12-(benzyloxy)-5,8-dodecanediol Cyclic Sufate
SpectraBase Compound ID Ld0TikdQuIG
InChI InChI=1S/C26H34O7S/c27-26(23-13-5-2-6-14-23)31-20-10-8-16-25-18-17-24(32-34(28,29)33-25)15-7-9-19-30-21-22-11-3-1-4-12-22/h1-6,11-14,24-25H,7-10,15-21H2/t24-,25-/m0/s1
InChIKey IEUUGHFFHDGSQJ-DQEYMECFSA-N
Mol Weight 490.6 g/mol
Molecular Formula C26H34O7S
Exact Mass 490.202525 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L5ZrMnNNAwd
Name (5S,8S)-1-(Benzoyloxy)-12-(benzyloxy)-5,8-dodecanediol Cyclic Sufate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H34O7S
InChI InChI=1S/C26H34O7S/c27-26(23-13-5-2-6-14-23)31-20-10-8-16-25-18-17-24(32-34(28,29)33-25)15-7-9-19-30-21-22-11-3-1-4-12-22/h1-6,11-14,24-25H,7-10,15-21H2/t24-,25-/m0/s1
InChIKey IEUUGHFFHDGSQJ-DQEYMECFSA-N
Molecular Weight 490.611 g/mol
SMILES [C@@]1(OS(O[C@](CC1)(CCCCOCc1ccccc1)[H])(=O)=O)(CCCCOC(=O)c1ccccc1)[H]
SPLASH splash10-0a4i-0900000000-e468551621cd8204dc9a
Source of Spectrum J-57-5183-19
Synonyms phenyl 5-{(4S,7S)-7-[4-(benzyloxy)butyl]-2,2-dioxido-1,3,2-dioxathiepan-4-yl}pentanoate benzoic acid 4-[(4S,7S)-2,2-dioxo-7-(4-phenylmethoxybutyl)-1,3,2-dioxathiepan-4-yl]butyl ester 4-[(4S,7S)-2,2-dioxo-7-(4-phenylmethoxybutyl)-1,3,2-dioxathiepan-4-yl]butyl benzoate 4-[(4S,7S)-7-(4-benzyloxybutyl)-2,2-dioxo-1,3,2-dioxathiepan-4-yl]butyl benzoate 4-[(4S,7S)-2,2-bis(oxidanylidene)-7-(4-phenylmethoxybutyl)-1,3,2-dioxathiepan-4-yl]butyl benzoate
Wiley ID 1397220