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7-Hydroxy-9-[2-(3-hydroxy-hept-6-enyl)-[1,3]dithian-2-yl]-non-4-ynoic acid
SpectraBase Compound ID KJxCKggX9yL
InChI InChI=1S/C20H32O4S2/c1-2-3-8-17(21)11-13-20(25-15-7-16-26-20)14-12-18(22)9-5-4-6-10-19(23)24/h2,17-18,21-22H,1,3,6-16H2,(H,23,24)
InChIKey YNSWRGGEJUXVMP-UHFFFAOYSA-N
Mol Weight 400.6 g/mol
Molecular Formula C20H32O4S2
Exact Mass 400.174202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LP0l8Wnw5s6
Name 7-Hydroxy-9-[2-(3-hydroxy-hept-6-enyl)-[1,3]dithian-2-yl]-non-4-ynoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O4S2
InChI InChI=1S/C20H32O4S2/c1-2-3-8-17(21)11-13-20(25-15-7-16-26-20)14-12-18(22)9-5-4-6-10-19(23)24/h2,17-18,21-22H,1,3,6-16H2,(H,23,24)
InChIKey YNSWRGGEJUXVMP-UHFFFAOYSA-N
Molecular Weight 400.592 g/mol
SMILES OC(CCC1(CCC(CC#CCCC(=O)O)O)SCCCS1)CCC=C
SPLASH splash10-000x-9410000000-5682b6ce411f000f6390
Synonyms 7-Hydroxy-9-[2-(3-hydroxy-6-heptenyl)-1,3-dithian-2-yl]-4-nonynoic acid 7-Hydroxy-9-[2-(3-hydroxyhept-6-enyl)-1,3-dithian-2-yl]-4-nonynoic acid 7-Oxidanyl-9-[2-(3-oxidanylhept-6-enyl)-1,3-dithian-2-yl]non-4-ynoic acid
Wiley ID 1481103