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(3-R)-BETA-CRYPTOXANTHIN;3-HYDROXY-BETA-CAROTENE;(3-R)-BETA,BETA-CAROTEN-3-OL
SpectraBase Compound ID 7D05Ud27ew7
InChI InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-/m1/s1
InChIKey DMASLKHVQRHNES-FKKUPVFPSA-N
Mol Weight 552.9 g/mol
Molecular Formula C40H56O
Exact Mass 552.433116 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L30zQafjmXR
Name (3-R)-BETA-CRYPTOXANTHIN;3-HYDROXY-BETA-CAROTENE;(3-R)-BETA,BETA-CAROTEN-3-OL
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H56O
InChI InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-/m1/s1
InChIKey DMASLKHVQRHNES-FKKUPVFPSA-N
Literature Reference Author F.KHACHIK,A.N.CHANG,A.GANA,E.MAZZOLA
Literature Reference Citation J.NAT.PROD.,70,220(2007)
Literature Reference DOI 10.1021/np060575v
Molecular Weight 552.884 g/mol
Sample ID 29626
Solvent CDCl3