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Gymnastatin A acetate

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Gymnastatin A acetate
SpectraBase Compound ID L0QjhI0x0vm
InChI InChI=1S/C25H33Cl2NO5/c1-5-6-7-8-9-16(2)12-17(3)10-11-22(30)28-21-15-25(33-24(21)32-18(4)29)13-19(26)23(31)20(27)14-25/h10-14,16,21,24H,5-9,15H2,1-4H3,(H,28,30)/b11-10+,17-12+/t16-,21+,24+/m1/s1
InChIKey HVBPBTCNPNRUIL-GZOFIWJRSA-N
Mol Weight 498.4 g/mol
Molecular Formula C25H33Cl2NO5
Exact Mass 497.173579 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BetV1pmugQK
Name GYMNASTATIN-A-ACETATE
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H33Cl2NO5
InChI InChI=1S/C25H33Cl2NO5/c1-5-6-7-8-9-16(2)12-17(3)10-11-22(30)28-21-15-25(33-24(21)32-18(4)29)13-19(26)23(31)20(27)14-25/h10-14,16,21,24H,5-9,15H2,1-4H3,(H,28,30)/b11-10+,17-12+/t16-,21+,24+/m1/s1
InChIKey HVBPBTCNPNRUIL-GZOFIWJRSA-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 498.447 g/mol
Solvent CDCl3
Source File Reference UWCP9040