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methanesulfonic acid [(2R,3S)-6,8-dichloro-3-[[(2E,4E,6R)-4,6-dimethyldodeca-2,4-dienoyl]amino]-2-methoxy-chroman-7-yl] ester

View entire compound with spectra: 1 NMR

methanesulfonic acid [(2R,3S)-6,8-dichloro-3-[[(2E,4E,6R)-4,6-dimethyldodeca-2,4-dienoyl]amino]-2-methoxy-chroman-7-yl] ester
SpectraBase Compound ID 9kX8F4vK7lX
InChI InChI=1S/C25H35Cl2NO6S/c1-6-7-8-9-10-16(2)13-17(3)11-12-21(29)28-20-15-18-14-19(26)24(34-35(5,30)31)22(27)23(18)33-25(20)32-4/h11-14,16,20,25H,6-10,15H2,1-5H3,(H,28,29)/b12-11+,17-13+/t16-,20+,25-/m1/s1
InChIKey ROKCPBOXYGFHPY-GFJZPEAOSA-N
Mol Weight 548.5 g/mol
Molecular Formula C25H35Cl2NO6S
Exact Mass 547.156214 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IKaUgKU9RqV
Name methanesulfonic acid [(2R,3S)-6,8-dichloro-3-[[(2E,4E,6R)-4,6-dimethyldodeca-2,4-dienoyl]amino]-2-methoxy-chroman-7-yl] ester
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H35Cl2NO6S
InChI InChI=1S/C25H35Cl2NO6S/c1-6-7-8-9-10-16(2)13-17(3)11-12-21(29)28-20-15-18-14-19(26)24(34-35(5,30)31)22(27)23(18)33-25(20)32-4/h11-14,16,20,25H,6-10,15H2,1-5H3,(H,28,29)/b12-11+,17-13+/t16-,20+,25-/m1/s1
InChIKey ROKCPBOXYGFHPY-GFJZPEAOSA-N
Literature Reference Author T.AMAGATA,M.DOI,T.OHTA,K.MINOURA,A.NUMATA
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3585(1998)
Literature Reference DOI 10.1039/a804466j
Molecular Weight 548.522 g/mol
Solvent CDCl3
Source File Reference UWCP9054