John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=7UybPWvRuIv SpectraBase Spectrum ID=1Jla17nAZv7

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ALBATRELIN_D
SpectraBase Compound ID 7UybPWvRuIv
InChI InChI=1S/C44H58O4/c1-28(2)15-11-17-30(5)19-13-20-32(7)22-23-35-37(45)27-33(8)38-39-34(9)40(46)43-36(42(39)47-41(35)38)24-26-44(10,48-43)25-14-21-31(6)18-12-16-29(3)4/h15-16,19,21-22,24,26-27,45-46H,11-14,17-18,20,23,25H2,1-10H3/b30-19+,31-21+,32-22+/t44-/m1/s1
InChIKey URKKJJQZOARVCY-IMZRLPGDSA-N
Mol Weight 650.9 g/mol
Molecular Formula C44H58O4
Exact Mass 650.433511 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Jla17nAZv7
Name ALBATRELIN_D
Compound Number 4
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H58O4
InChI InChI=1S/C44H58O4/c1-28(2)15-11-17-30(5)19-13-20-32(7)22-23-35-37(45)27-33(8)38-39-34(9)40(46)43-36(42(39)47-41(35)38)24-26-44(10,48-43)25-14-21-31(6)18-12-16-29(3)4/h15-16,19,21-22,24,26-27,45-46H,11-14,17-18,20,23,25H2,1-10H3/b30-19+,31-21+,32-22+/t44-/m1/s1
InChIKey URKKJJQZOARVCY-IMZRLPGDSA-N
Literature Reference Author L.Y.LIU,Z.H.LI,Z.H.DING,Z.J.DONG,G.T.LI,Y.LI,J.K.LIU
Literature Reference Citation J.NAT.PROD.,76,79(2013)
Literature Reference DOI 10.1021/np300751m
Molecular Weight 650.942 g/mol
Sample ID 41040
Solvent CDCl3
SpectraBase Batch ID EIZW8edDcKI