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(5-R,8-S,3'-S,5'-R)-CRYPTOCAPSIN-5,8-EPOXIDE;(5-R,8-S,3'-S,5'-R)-3'-HYDROXY-5,6-DIHYDRO-5,8-EPOXY-BETA,KAPPA-CAROTEN-6'-ONE

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(5-R,8-S,3'-S,5'-R)-CRYPTOCAPSIN-5,8-EPOXIDE;(5-R,8-S,3'-S,5'-R)-3'-HYDROXY-5,6-DIHYDRO-5,8-EPOXY-BETA,KAPPA-CAROTEN-6'-ONE
SpectraBase Compound ID BAUxZdfiR47
InChI InChI=1S/C40H56O3/c1-29(18-13-19-31(3)22-23-36(42)39(9)28-33(41)27-38(39,7)8)16-11-12-17-30(2)20-14-21-32(4)34-26-35-37(5,6)24-15-25-40(35,10)43-34/h11-14,16-23,26,33-34,41H,15,24-25,27-28H2,1-10H3/b12-11+,18-13+,20-14+,23-22+,29-16+,30-17+,31-19+,32-21+/t33-,34-,39-,40+/m0/s1
InChIKey FCPKOUMHQGLQOO-QJJOPIMMSA-N
Mol Weight 584.9 g/mol
Molecular Formula C40H56O3
Exact Mass 584.422946 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GjgExE5lfE7
Name (5-R,8-S,3'-S,5'-R)-CRYPTOCAPSIN-5,8-EPOXIDE;(5-R,8-S,3'-S,5'-R)-3'-HYDROXY-5,6-DIHYDRO-5,8-EPOXY-BETA,KAPPA-CAROTEN-6'-ONE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H56O3
InChI InChI=1S/C40H56O3/c1-29(18-13-19-31(3)22-23-36(42)39(9)28-33(41)27-38(39,7)8)16-11-12-17-30(2)20-14-21-32(4)34-26-35-37(5,6)24-15-25-40(35,10)43-34/h11-14,16-23,26,33-34,41H,15,24-25,27-28H2,1-10H3/b12-11+,18-13+,20-14+,23-22+,29-16+,30-17+,31-19+,32-21+/t33-,34-,39-,40+/m0/s1
InChIKey FCPKOUMHQGLQOO-QJJOPIMMSA-N
Literature Reference Author G.GULYAS-FEKETE,E.MURILLO,T.KURTAN,T.PAPP,T.Z.ILLYES,L.DRAHO S,J.VISY,A.AGOCS,E.T
Literature Reference Citation J.NAT.PROD.,76,607(2013)
Literature Reference DOI 10.1021/np3007827
Molecular Weight 584.883 g/mol
Sample ID 42379
Solvent CDCl3