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(R)-3-ACETYL-4-(E)-4-[((2-R,5-S,6-Z,10-Z)-5,10-DIMETHYL-12-OXOOXACYCLODODECA-6,10-DIEN-2-YL)-BUT-2-ENOYL]-THIAZOLIDIN-2-ONE
SpectraBase Compound ID 3QPUhneNhH
InChI InChI=1S/C22H29NO5S/c1-15-7-4-5-8-16(2)13-21(26)28-18(12-11-15)9-6-10-20(25)19-14-29-22(27)23(19)17(3)24/h4,6-7,10,13,15,18-19H,5,8-9,11-12,14H2,1-3H3/b7-4-,10-6+,16-13-/t15-,18+,19+/m1/s1
InChIKey FISAKOWYJDPHMO-LVVBINIXSA-N
Mol Weight 419.54 g/mol
Molecular Formula C22H29NO5S
Exact Mass 419.176644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9VLqTMXWD33
Name (R)-3-ACETYL-4-(E)-4-[((2-R,5-S,6-Z,10-Z)-5,10-DIMETHYL-12-OXOOXACYCLODODECA-6,10-DIEN-2-YL)-BUT-2-ENOYL]-THIAZOLIDIN-2-ONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H29NO5S
InChI InChI=1S/C22H29NO5S/c1-15-7-4-5-8-16(2)13-21(26)28-18(12-11-15)9-6-10-20(25)19-14-29-22(27)23(19)17(3)24/h4,6-7,10,13,15,18-19H,5,8-9,11-12,14H2,1-3H3/b7-4-,10-6+,16-13-/t15-,18+,19+/m1/s1
InChIKey FISAKOWYJDPHMO-LVVBINIXSA-N
Literature Reference Author K.A.ELSAYED,D.T.A.YOUSSEF,D.MARCHETTI
Literature Reference Citation J.NAT.PROD.,69,219(2006)
Literature Reference DOI 10.1021/np050372r
Molecular Weight 419.536 g/mol
Solvent CDCl3
Source File Reference UWMZ17003