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.beta.,.Epsilon.-carotene-3,3',8,19-tetrol, 7,8-dihydro-
SpectraBase Compound ID 9rQtdNOglwP
InChI InChI=1S/C40H58O4/c1-28(16-12-17-30(3)20-21-36-31(4)22-34(42)25-39(36,6)7)14-10-11-15-29(2)18-13-19-33(27-41)38(44)24-37-32(5)23-35(43)26-40(37,8)9/h10-22,34-36,38,41-44H,23-27H2,1-9H3/b11-10+,16-12+,18-13+,21-20+,28-14+,29-15+,30-17+,33-19+
InChIKey ZJGITEGZVFEEGA-LANKSYMZSA-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 GiVqswqWN41
Name .beta.,.Epsilon.-carotene-3,3',8,19-tetrol, 7,8-dihydro-
Comments Computed using HOSE algorithm
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Exact Mass 602.433510344 u
Formula C40H58O4
InChI InChI=1S/C40H58O4/c1-28(16-12-17-30(3)20-21-36-31(4)22-34(42)25-39(36,6)7)14-10-11-15-29(2)18-13-19-33(27-41)38(44)24-37-32(5)23-35(43)26-40(37,8)9/h10-22,34-36,38,41-44H,23-27H2,1-9H3/b11-10+,16-12+,18-13+,21-20+,28-14+,29-15+,30-17+,33-19+
InChIKey ZJGITEGZVFEEGA-LANKSYMZSA-N
Molecular Weight 602.900 g/mol
SMILES C1(CC(C(=C(C1)C)CC(O)\C(CO)=C\C=C\C(C)=C\C=C\C=C\(\C=C\C=C\(\C=C\C1C(CC(O)C=C1C)(C)C)C)C)(C)C)O