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CUCUMARIAXANTIN-C;(4S,5S,6S,4'S,5'S,6'S)-(9Z,9Z')-5,6,5',6'-TETRAHYDRO-BETA,BETA-CAROTENE-4,4'-DIOL

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CUCUMARIAXANTIN-C;(4S,5S,6S,4'S,5'S,6'S)-(9Z,9Z')-5,6,5',6'-TETRAHYDRO-BETA,BETA-CAROTENE-4,4'-DIOL
SpectraBase Compound ID 4BPKW3XtSv
InChI InChI=1S/C40H60O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24,33-38,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19-,32-20-/t33-,34-,35-,36-,37+,38+/m0/s1
InChIKey JNTVTBGQHNNOKM-JPHUWWQOSA-N
Mol Weight 572.9 g/mol
Molecular Formula C40H60O2
Exact Mass 572.459331 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GJrJiRvLrik
Name CUCUMARIAXANTIN-C;(4S,5S,6S,4'S,5'S,6'S)-(9Z,9Z')-5,6,5',6'-TETRAHYDRO-BETA,BETA-CAROTENE-4,4'-DIOL
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H60O2
InChI InChI=1S/C40H60O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24,33-38,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19-,32-20-/t33-,34-,35-,36-,37+,38+/m0/s1
InChIKey JNTVTBGQHNNOKM-JPHUWWQOSA-N
Literature Reference Author M.TSUSHIMA,Y.FUJIWARA,T.MATSUNO
Literature Reference Citation J.NAT.PROD.,59,30(1996)
Literature Reference DOI 10.1021/np960022s
Molecular Weight 572.915 g/mol
Solvent C6D6
Source File Reference UWVP2498