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AMAROUCIXANTHIN-B;(6S,3'R)-6,3'-DIHYDROXY-4,5,7',8'-TETRADEHYDRO-7,8-DIHYDRO-BETA,BETA-CAROTEN-2,8-DIONE
SpectraBase Compound ID AWgl0TbiDos
InChI InChI=1S/C40H52O4/c1-28(17-13-18-30(3)21-22-36-32(5)23-34(41)25-38(36,7)8)15-11-12-16-29(2)19-14-20-31(4)37(43)27-40(44)33(6)24-35(42)26-39(40,9)10/h11-20,24,34,41,44H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+/t34-,40-/m1/s1
InChIKey XUKJTNSSWNXSQU-OMEVNMJGSA-N
Mol Weight 596.9 g/mol
Molecular Formula C40H52O4
Exact Mass 596.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3lvaMm2A3gg
Name AMAROUCIXANTHIN-B;(6S,3'R)-6,3'-DIHYDROXY-4,5,7',8'-TETRADEHYDRO-7,8-DIHYDRO-BETA,BETA-CAROTEN-2,8-DIONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H52O4
InChI InChI=1S/C40H52O4/c1-28(17-13-18-30(3)21-22-36-32(5)23-34(41)25-38(36,7)8)15-11-12-16-29(2)19-14-20-31(4)37(43)27-40(44)33(6)24-35(42)26-39(40,9)10/h11-20,24,34,41,44H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+/t34-,40-/m1/s1
InChIKey XUKJTNSSWNXSQU-OMEVNMJGSA-N
Literature Reference Author T.MATSUNO,M.OOKUBO,T.KOMORI
Literature Reference Citation J.NAT.PROD.,48,606(1985)
Literature Reference DOI 10.1021/np50040a015
Molecular Weight 596.850 g/mol
Solvent CDCl3
Source File Reference UWCS3143