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(3S,5S,6R,3'R,6'R)-5,6-DIHYDRO-BETA,EPSILON-CAROTENE-3,5,6,3'-TETROL;(3S,5S,6R,3'R,6'R)-5,6-DIHYDRO-5,6-DIHYDROXYLUTEIN
SpectraBase Compound ID ACIr7xpa1AJ
InChI InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-25,34-36,41-44H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35-,36-,39-,40+/m0/s1
InChIKey FJRIGPREPNIRNO-VQFXDPJJSA-N
Mol Weight 602.9 g/mol
Molecular Formula C40H58O4
Exact Mass 602.43351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 13KGS23fB1P
Name (3S,5S,6R,3'R,6'R)-5,6-DIHYDRO-BETA,EPSILON-CAROTENE-3,5,6,3'-TETROL;(3S,5S,6R,3'R,6'R)-5,6-DIHYDRO-5,6-DIHYDROXYLUTEIN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H58O4
InChI InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-25,34-36,41-44H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35-,36-,39-,40+/m0/s1
InChIKey FJRIGPREPNIRNO-VQFXDPJJSA-N
Literature Reference Author S.KISHIMOTO,T.MAOKA,M.NAKAYAMA,A.OHMIYA
Literature Reference Citation PHYTOCHEM.,65,2781(2004)
Literature Reference DOI 10.1016/j.phytochem.2004.08.038
Molecular Weight 602.898 g/mol
Solvent CDCl3
Source File Reference UWVN30040