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CALCARATARIN_D
SpectraBase Compound ID 8uRfRkVG5T6
InChI InChI=1S/C41H62O4/c1-27-12-16-35-38(3,4)18-10-20-40(35,7)32(27)15-14-29(25-42)22-37(44-9)45-34-24-30(31(34)26-43)23-33-28(2)13-17-36-39(5,6)19-11-21-41(33,36)8/h14,25-26,32-37H,1-2,10-13,15-24H2,3-9H3/b29-14+/t32-,33+,34?,35-,36-,37?,40+,41+/m0/s1
InChIKey DRFPZBVYKVDYOL-BRGYFSQSSA-N
Mol Weight 618.9 g/mol
Molecular Formula C41H62O4
Exact Mass 618.46481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3acmu3tHiG4
Name CALCARATARIN_D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H62O4
InChI InChI=1S/C41H62O4/c1-27-12-16-35-38(3,4)18-10-20-40(35,7)32(27)15-14-29(25-42)22-37(44-9)45-34-24-30(31(34)26-43)23-33-28(2)13-17-36-39(5,6)19-11-21-41(33,36)8/h14,25-26,32-37H,1-2,10-13,15-24H2,3-9H3/b29-14+/t32-,33+,34?,35-,36-,37?,40+,41+/m0/s1
InChIKey DRFPZBVYKVDYOL-BRGYFSQSSA-N
Literature Reference Author L.KONG,M.QIN,M.NIWA
Literature Reference Citation PLANTA.MED.,68,813(2002)
Literature Reference DOI 10.1055/s-2002-34404
Molecular Weight 618.941 g/mol
Solvent CDCl3
Source File Reference UIAP1826