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acetic acid [(2R,3S,5R,6S)-8-acetoxy-7,9-dichloro-3-[[(2E,4E,6R)-4,6-dimethyldodeca-2,4-dienoyl]amino]-2-methoxy-1-oxaspiro[4.5]deca-7,9-dien-6-yl] ester

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acetic acid [(2R,3S,5R,6S)-8-acetoxy-7,9-dichloro-3-[[(2E,4E,6R)-4,6-dimethyldodeca-2,4-dienoyl]amino]-2-methoxy-1-oxaspiro[4.5]deca-7,9-dien-6-yl] ester
SpectraBase Compound ID A9zrXnDSHsT
InChI InChI=1S/C28H39Cl2NO7/c1-7-8-9-10-11-17(2)14-18(3)12-13-23(34)31-22-16-28(38-27(22)35-6)15-21(29)25(36-19(4)32)24(30)26(28)37-20(5)33/h12-15,17,22,26-27H,7-11,16H2,1-6H3,(H,31,34)/b13-12+,18-14+/t17-,22+,26-,27-,28+/m1/s1
InChIKey WQZJUAIIKWAIFH-QICPMWSLSA-N
Mol Weight 572.5 g/mol
Molecular Formula C28H39Cl2NO7
Exact Mass 571.210358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BUWtCCjPRuh
Name acetic acid [(2R,3S,5R,6S)-8-acetoxy-7,9-dichloro-3-[[(2E,4E,6R)-4,6-dimethyldodeca-2,4-dienoyl]amino]-2-methoxy-1-oxaspiro[4.5]deca-7,9-dien-6-yl] ester
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H39Cl2NO7
InChI InChI=1S/C28H39Cl2NO7/c1-7-8-9-10-11-17(2)14-18(3)12-13-23(34)31-22-16-28(38-27(22)35-6)15-21(29)25(36-19(4)32)24(30)26(28)37-20(5)33/h12-15,17,22,26-27H,7-11,16H2,1-6H3,(H,31,34)/b13-12+,18-14+/t17-,22+,26-,27-,28+/m1/s1
InChIKey WQZJUAIIKWAIFH-QICPMWSLSA-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 572.526 g/mol
Solvent CDCl3
Source File Reference UWCP9056