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14,15-DIHYDRO-12-(2-TETRAHYDROPYRANYLOXY)-11-CHLORO-CHLORVULONE-II

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14,15-DIHYDRO-12-(2-TETRAHYDROPYRANYLOXY)-11-CHLORO-CHLORVULONE-II
SpectraBase Compound ID 726j20Fx1fJ
InChI InChI=1S/2C26H38Cl2O5/c2*1-3-4-5-6-9-13-18-26(33-22-17-12-14-19-32-22)20(24(30)23(27)25(26)28)15-10-7-8-11-16-21(29)31-2/h2*7,10,15,22H,3-6,8-9,11-14,16-19H2,1-2H3/b2*10-7+,20-15+/t2*22?,26-/m00/s1
InChIKey ZKTCMFISPUXLPY-JAWQXVROSA-N
Mol Weight 1003.0 g/mol
Molecular Formula C52H76Cl4O10
Exact Mass 1000.419259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1EZYyJI2q2v
Name 14,15-DIHYDRO-12-(2-TETRAHYDROPYRANYLOXY)-11-CHLORO-CHLORVULONE-II
Compound Number XI
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H76Cl4O10
InChI InChI=1S/2C26H38Cl2O5/c2*1-3-4-5-6-9-13-18-26(33-22-17-12-14-19-32-22)20(24(30)23(27)25(26)28)15-10-7-8-11-16-21(29)31-2/h2*7,10,15,22H,3-6,8-9,11-14,16-19H2,1-2H3/b2*10-7+,20-15+/t2*22?,26-/m00/s1
InChIKey ZKTCMFISPUXLPY-JAWQXVROSA-N
Literature Reference Author R.R.AKHMETVALEEV,G.M.BAIBULATOVA,I.F.NURIEV,M.S.MIFTAKHOV
Literature Reference Citation RUSS.J.ORG.CHEM.,37,1079(2001)
Literature Reference DOI 10.1023/A:1013119826158
Molecular Weight 1002.981 g/mol
Solvent CDCl3
Source File Reference UWVN5577