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(1S,3S,7S,10R,11S,12S,16R)-3-[(E)-1-Methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-ethenyl]-11-hydroxy-7-(4-methoxybenzyloxy)-8,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione

View entire compound with spectra: 1 MS (GC)

(1S,3S,7S,10R,11S,12S,16R)-3-[(E)-1-Methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-ethenyl]-11-hydroxy-7-(4-methoxybenzyloxy)-8,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
SpectraBase Compound ID Lj8Id5mkhze
InChI InChI=1S/C34H47NO7S/c1-20-9-8-10-27-29(41-27)16-28(21(2)15-25-19-43-23(4)35-25)42-31(36)17-30(34(5,6)33(38)22(3)32(20)37)40-18-24-11-13-26(39-7)14-12-24/h11-15,19-20,22,27-30,32,37H,8-10,16-18H2,1-7H3/b21-15+/t20-,22+,27+,28-,29-,30-,32-/m0/s1
InChIKey WOOXAUXEPXOCLD-GWVIYHFFSA-N
Mol Weight 613.8 g/mol
Molecular Formula C34H47NO7S
Exact Mass 613.307324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ap3ofSFP0N8
Name (1S,3S,7S,10R,11S,12S,16R)-3-[(E)-1-Methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-ethenyl]-11-hydroxy-7-(4-methoxybenzyloxy)-8,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H47NO7S
InChI InChI=1S/C34H47NO7S/c1-20-9-8-10-27-29(41-27)16-28(21(2)15-25-19-43-23(4)35-25)42-31(36)17-30(34(5,6)33(38)22(3)32(20)37)40-18-24-11-13-26(39-7)14-12-24/h11-15,19-20,22,27-30,32,37H,8-10,16-18H2,1-7H3/b21-15+/t20-,22+,27+,28-,29-,30-,32-/m0/s1
InChIKey WOOXAUXEPXOCLD-GWVIYHFFSA-N
Molecular Weight 613.810 g/mol
SMILES O[C@@]1([C@](C(=O)C([C@](CC(O[C@@](C[C@@]2(O[C@@]2(CCC[C@@]1(C)[H])[H])[H])(\C(=C\c1nc(C)sc1)C)[H])=O)(OCc1ccc(cc1)OC)[H])(C)C)(C)[H])[H]
SPLASH splash10-00di-0900000000-7cac5af07af0dcdfdee7
Source of Spectrum QE-8-3755-43
Synonyms (1R,5S,6S,7R,10S,14S,16S)-10-[(4-methoxyphenyl)methoxy]-5,7,9,9-tetramethyl-14-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-6-oxidanyl-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione (1R,5S,6S,7R,10S,14S,16S)-6-hydroxy-10-[(4-methoxyphenyl)methoxy]-5,7,9,9-tetramethyl-14-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione (1R,5S,6S,7R,10S,14S,16S)-6-hydroxy-10-[(4-methoxyphenyl)methoxy]-5,7,9,9-tetramethyl-14-[(E)-1-(2-methyl-4-thiazolyl)prop-1-en-2-yl]-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione (1R,5S,6S,7R,10S,14S,16S)-6-hydroxy-10-[(4-methoxyphenyl)methoxy]-5,7,9,9-tetramethyl-14-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione (1R,5S,6S,7R,10S,14S,16S)-6-hydroxy-5,7,9,9-tetramethyl-14-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-10-p-anisyloxy-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-quinone (1S,3S,7S,10R,11S,12S,16R)-11-hydroxy-7-[(4-methoxybenzyl)oxy]-8,8,10,12-tetramethyl-3-[(E)-1-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
Wiley ID 1557910