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SAKAMBULLIN;(E)-3-(METHYLSULFONYL)-PROPENOIC-ACID-3-HYDROXY-4-(3-METHYL-2-BUTENYLOXY)-PHENETHYL-AMIDE
SpectraBase Compound ID 6XO1U0Eg6Vk
InChI InChI=1S/C17H23NO5S/c1-13(2)7-10-23-16-5-4-14(12-15(16)19)6-9-18-17(20)8-11-24(3,21)22/h4-5,7-8,11-12,19H,6,9-10H2,1-3H3,(H,18,20)/b11-8+
InChIKey YJDWFOYXEJUGOR-DHZHZOJOSA-N
Mol Weight 353.43 g/mol
Molecular Formula C17H23NO5S
Exact Mass 353.129694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D5JStSRVSQe
Name (E)-3-(methylsulfonyl)-propenoic acid 3-hydroxy-4-(3-methyl-2-butenyloxy)-phenethyl amide
Alternate Name(s) Sakambullin (E)-N-(3-hydroxy-4-((3-methylbut-2-en-1-yl)oxy)phenethyl)-3-(methylsulfonyl)acrylamide
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Formula C17H23NO5S
InChI InChI=1S/C17H23NO5S/c1-13(2)7-10-23-16-5-4-14(12-15(16)19)6-9-18-17(20)8-11-24(3,21)22/h4-5,7-8,11-12,19H,6,9-10H2,1-3H3,(H,18,20)/b11-8+
InChIKey YJDWFOYXEJUGOR-DHZHZOJOSA-N
Molecular Weight 353.433 g/mol
SMILES N(CCc1cc(c(cc1)OCC=C(C)C)O)C(\C=C\S(=O)(=O)C)=O
SPLASH splash10-0g0f-8930000000-1387f02535e1684522fb
Source of Spectrum Otmar Hofer, et al. Phytochemistry, V. 54, 2000, P.207-213
Wiley ID 1817551