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4-Nonynoic acid, 7-hydroxy-9-[2-[3-[(tetrahydro-2H-pyran-2-yl)oxy]-6-heptenyl]-1,3-dithian-2-yl]-, [2R-[2R*[R*(S*)]]]-
SpectraBase Compound ID BRhvZdj5pkI
InChI InChI=1S/C25H40O5S2/c1-2-3-11-22(30-24-13-7-8-18-29-24)15-17-25(31-19-9-20-32-25)16-14-21(26)10-5-4-6-12-23(27)28/h2,21-22,24,26H,1,3,6-20H2,(H,27,28)
InChIKey NLAUJGJBYQHWDW-UHFFFAOYSA-N
Mol Weight 484.7 g/mol
Molecular Formula C25H40O5S2
Exact Mass 484.231717 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DwAeVrWRPTw
Name 4-Nonynoic acid, 7-hydroxy-9-[2-[3-[(tetrahydro-2H-pyran-2-yl)oxy]-6-heptenyl]-1,3-dithian-2-yl]-, [2R-[2R*[R*(S*)]]]-
CAS Registry Number 129001-24-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40O5S2
InChI InChI=1S/C25H40O5S2/c1-2-3-11-22(30-24-13-7-8-18-29-24)15-17-25(31-19-9-20-32-25)16-14-21(26)10-5-4-6-12-23(27)28/h2,21-22,24,26H,1,3,6-20H2,(H,27,28)
InChIKey NLAUJGJBYQHWDW-UHFFFAOYSA-N
Molecular Weight 484.710 g/mol
SMILES OC(CC#CCCC(=O)O)CCC1(SCCCS1)CCC(OC1OCCCC1)CCC=C
SPLASH splash10-054x-9210000000-5d809be6b6887321c317
Synonyms 7-Hydroxy-9-(2-[3-(tetrahydro-2H-pyran-2-yloxy)-6-heptenyl]-1,3-dithian-2-yl)-4-nonynoic acid 7-Hydroxy-9-[2-(3-tetrahydropyran-2-yloxyhept-6-enyl)-1,3-dithian-2-yl]non-4-ynoic acid 7-Hydroxy-9-[2-[3-(2-oxanyloxy)hept-6-enyl]-1,3-dithian-2-yl]-4-nonynoic acid 7-Hydroxy-9-[2-[3-(oxan-2-yloxy)hept-6-enyl]-1,3-dithian-2-yl]non-4-ynoic acid 9-[2-[3-(oxan-2-yloxy)hept-6-enyl]-1,3-dithian-2-yl]-7-oxidanyl-non-4-ynoic acid
Wiley ID 1486692