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(5R,6E,8R,9S,10E)-8-Isopropyl-6-[(S)-N-methyl-S-phenyl-sulfonimidoyl)]-9-(triethylsilyloxy)dodeca-1,6,10-trien-5-ol
SpectraBase Compound ID FF67kuP0Mwg
InChI InChI=1S/C28H47NO3SSi/c1-9-14-21-26(30)28(33(31,29-8)24-19-16-15-17-20-24)22-25(23(6)7)27(18-10-2)32-34(11-3,12-4)13-5/h9-10,15-20,22-23,25-27,30H,1,11-14,21H2,2-8H3/b18-10+,28-22+/t25-,26+,27-,33+/m0/s1
InChIKey HLGFEIVQBMUVGI-KHSFUFOMSA-N
Mol Weight 505.8 g/mol
Molecular Formula C28H47NO3SSi
Exact Mass 505.304592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BjnI5G3UVsl
Name (5R,6E,8R,9S,10E)-8-Isopropyl-6-[(S)-N-methyl-S-phenyl-sulfonimidoyl)]-9-(triethylsilyloxy)dodeca-1,6,10-trien-5-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H47NO3SSi
InChI InChI=1S/C28H47NO3SSi/c1-9-14-21-26(30)28(33(31,29-8)24-19-16-15-17-20-24)22-25(23(6)7)27(18-10-2)32-34(11-3,12-4)13-5/h9-10,15-20,22-23,25-27,30H,1,11-14,21H2,2-8H3/b18-10+,28-22+/t25-,26+,27-,33+/m0/s1
InChIKey HLGFEIVQBMUVGI-KHSFUFOMSA-N
Literature Reference DOI 10.1021/ol800854s
Molecular Weight 505.833 g/mol
SMILES O[C@@](\C(=C/[C@@](C(C)C)([C@@](O[Si](CC)(CC)CC)(\C=C\C)[H])[H])[S@@](=O)(=NC)c1ccccc1)(CCC=C)[H]
SPLASH splash10-000i-0900000000-cb8c3d0b8a0ed7274109
Source of Spectrum A1-10-2713/SMS9-R_3c
Synonyms (5R,6E,8R,9S,10E)-8-isopropyl-6-(N-methylphenylsulfonimidoyl)-9-((triethylsilyl)oxy)dodeca-1,6,10-trien-5-ol
Wiley ID 1759575