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[4(S)-[1.beta.,4.beta.,4(Z)]]-4-hydroxy-4-[1-[(2-carboxyethyl)thio]-2-hexadecenyl]cyclohexanecarboxylic Acid
SpectraBase Compound ID Ip9aFg4oPYA
InChI InChI=1S/C26H46O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(32-21-18-24(27)28)26(31)19-16-22(17-20-26)25(29)30/h14-15,22-23,31H,2-13,16-21H2,1H3,(H,27,28)(H,29,30)/b15-14+/t22-,23?,26+
InChIKey GXHYZAIPJMHWQO-QYHULPTFSA-N
Mol Weight 470.7 g/mol
Molecular Formula C26H46O5S
Exact Mass 470.306596 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HPz4ssbWoXg
Name [4(S)-[1.beta.,4.beta.,4(Z)]]-4-hydroxy-4-[1-[(2-carboxyethyl)thio]-2-hexadecenyl]cyclohexanecarboxylic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H46O5S
InChI InChI=1S/C26H46O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(32-21-18-24(27)28)26(31)19-16-22(17-20-26)25(29)30/h14-15,22-23,31H,2-13,16-21H2,1H3,(H,27,28)(H,29,30)/b15-14+/t22-,23?,26+
InChIKey GXHYZAIPJMHWQO-QYHULPTFSA-N
Molecular Weight 470.709 g/mol
SMILES OC([C@@]1(CC[C@](CC1)(C(\C=C\CCCCCCCCCCCCC)SCCC(=O)O)O)[H])=O
SPLASH splash10-000l-4913200000-5bf45beb151d719cea50
Source of Spectrum J-56-1763-2
Wiley ID 1392843