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(4S,7R,8S,9S,16S)-4,8-Dihydro-5,5,7,9-tetramethyl-16-[(E)-1-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-ethenyl]-1-oxacyclohexadec-13-en-2,6-dione

View entire compound with spectra: 1 MS (GC)

(4S,7R,8S,9S,16S)-4,8-Dihydro-5,5,7,9-tetramethyl-16-[(E)-1-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-ethenyl]-1-oxacyclohexadec-13-en-2,6-dione
SpectraBase Compound ID 2DYMWSCMRZr
InChI InChI=1S/C26H39NO5S/c1-16-11-9-7-8-10-12-21(17(2)13-20-15-33-19(4)27-20)32-23(29)14-22(28)26(5,6)25(31)18(3)24(16)30/h8,10,13,15-16,18,21-22,24,28,30H,7,9,11-12,14H2,1-6H3/b10-8+,17-13+/t16-,18+,21?,22-,24-/m0/s1
InChIKey BEFZAMRWPCMWFJ-CKOQHKLDSA-N
Mol Weight 477.7 g/mol
Molecular Formula C26H39NO5S
Exact Mass 477.254895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CRmBxFnz1n
Name (4S,7R,8S,9S,16S)-4,8-Dihydro-5,5,7,9-tetramethyl-16-[(E)-1-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-ethenyl]-1-oxacyclohexadec-13-en-2,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H39NO5S
InChI InChI=1S/C26H39NO5S/c1-16-11-9-7-8-10-12-21(17(2)13-20-15-33-19(4)27-20)32-23(29)14-22(28)26(5,6)25(31)18(3)24(16)30/h8,10,13,15-16,18,21-22,24,28,30H,7,9,11-12,14H2,1-6H3/b10-8+,17-13+/t16-,18+,21?,22-,24-/m0/s1
InChIKey BEFZAMRWPCMWFJ-CKOQHKLDSA-N
Molecular Weight 477.660 g/mol
SMILES O[C@@]1([C@](C(C([C@](CC(OC(C\C=C\CCC[C@@]1(C)[H])\C(=C\c1nc(C)sc1)C)=O)(O)[H])(C)C)=O)(C)[H])[H]
SPLASH splash10-014i-0910300000-f70a4251b7953f08c2be
Source of Spectrum QE-5-2490-32
Synonyms (E)-(4S,7R,8S,9S)-4,8-Dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-methyl-2-(2-methyl-thiazol-4-yl)-vinyl]-oxacyclohexadec-13-ene-2,6-dione (4S,7R,8S,9S,13E)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-4-thiazolyl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione (4S,7R,8S,9S,13E)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione (4S,7R,8S,9S,13E)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-1-oxacyclohexadec-13-ene-2,6-dione (4S,7R,8S,9S,13E)-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,8-bis(oxidanyl)-1-oxacyclohexadec-13-ene-2,6-dione
Wiley ID 844281