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6-O-CHLOROACETYL-2',3',4',6',10-PENTA-O-BENZOYL-EPIAUCUBIN

View entire compound with spectra: 1 NMR

6-O-CHLOROACETYL-2',3',4',6',10-PENTA-O-BENZOYL-EPIAUCUBIN
SpectraBase Compound ID A5Fgv8Matsp
InChI InChI=1S/C52H43ClO15/c53-29-41(54)63-39-28-37(30-61-46(55)32-16-6-1-7-17-32)42-38(39)26-27-60-51(42)68-52-45(67-50(59)36-24-14-5-15-25-36)44(66-49(58)35-22-12-4-13-23-35)43(65-48(57)34-20-10-3-11-21-34)40(64-52)31-62-47(56)33-18-8-2-9-19-33/h1-28,38-40,42-45,51-52H,29-31H2/t38?,39-,40-,42?,43-,44+,45-,51-,52+/m0/s1
InChIKey OZPXDKQAXPRPQV-DRSXVJAGSA-N
Mol Weight 943.4 g/mol
Molecular Formula C52H43ClO15
Exact Mass 942.229048 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CxDO4uhuFDl
Name 6-O-CHLOROACETYL-2',3',4',6',10-PENTA-O-BENZOYL-EPIAUCUBIN
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H43ClO15
InChI InChI=1S/C52H43ClO15/c53-29-41(54)63-39-28-37(30-61-46(55)32-16-6-1-7-17-32)42-38(39)26-27-60-51(42)68-52-45(67-50(59)36-24-14-5-15-25-36)44(66-49(58)35-22-12-4-13-23-35)43(65-48(57)34-20-10-3-11-21-34)40(64-52)31-62-47(56)33-18-8-2-9-19-33/h1-28,38-40,42-45,51-52H,29-31H2/t38?,39-,40-,42?,43-,44+,45-,51-,52+/m0/s1
InChIKey OZPXDKQAXPRPQV-DRSXVJAGSA-N
Literature Reference Author X.CACHET,B.DEGUIN,M.KOCH,K.MAKHLOUF,F.TILLEQUIN
Literature Reference Citation J.NAT.PROD.,62,400(1999)
Literature Reference DOI 10.1021/np9804583
Molecular Weight 943.357 g/mol
Solvent CDCl3
Source File Reference UWCP6186