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CALCARIDE-A

View entire compound with spectra: 1 NMR

CALCARIDE-A
SpectraBase Compound ID Kq6TRHdjSMv
InChI InChI=1S/C33H40O14/c1-16-7-21-12-23(34)14-25(35)30(21)32(40)46-19(4)10-28(38)44-17(2)8-22-13-24(42-6)15-26(36)31(22)33(41)47-20(5)11-29(39)45-18(3)9-27(37)43-16/h12-20,34-36H,7-11H2,1-6H3/t16-,17-,18-,19-,20-/m1/s1
InChIKey VGERWXRJUJRYBA-LASHMREHSA-N
Mol Weight 660.7 g/mol
Molecular Formula C33H40O14
Exact Mass 660.241806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KIF0oM6S61h
Name CALCARIDE-A
Compound Number 6
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H40O14
InChI InChI=1S/C33H40O14/c1-16-7-21-12-23(34)14-25(35)30(21)32(40)46-19(4)10-28(38)44-17(2)8-22-13-24(42-6)15-26(36)31(22)33(41)47-20(5)11-29(39)45-18(3)9-27(37)43-16/h12-20,34-36H,7-11H2,1-6H3/t16-,17-,18-,19-,20-/m1/s1
InChIKey VGERWXRJUJRYBA-LASHMREHSA-N
Literature Reference Author J.SILBER,B.OHLENDORF,A.LABES,A.ERHARD,J.F.IMHOFF
Literature Reference Citation MAR.DRUGS,11,3309(2013)
Literature Reference DOI 10.3390/md11093309
Molecular Weight 660.672 g/mol
Source File Reference UWBT6423