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Di-O-acetal of (8'R)-Luteoxanthin
SpectraBase Compound ID LArNOlqZZlV
InChI InChI=1S/C44H60O6/c1-30(19-15-20-32(3)23-24-44-41(9,10)27-37(48-35(6)46)29-43(44,12)50-44)17-13-14-18-31(2)21-16-22-33(4)38-25-39-40(7,8)26-36(47-34(5)45)28-42(39,11)49-38/h13-25,36-38H,26-29H2,1-12H3/b14-13+,19-15+,21-16+,24-23+,30-17+,31-18+,32-20+,33-22+/t36-,37?,38?,42?,43?,44?/m1/s1
InChIKey OFUBKOIJZMBRKX-XBRCSVRNSA-N
Mol Weight 685.0 g/mol
Molecular Formula C44H60O6
Exact Mass 684.43899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7LDcRuS4vu2
Name Di-O-acetal of (8'R)-Luteoxanthin
Alternate Name(s) 6-{(1E,3E,5E,7E,9E,11E,13E,15E)-16-[(6R)-6-(acetyloxy)-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-yl]-3,7,12-trimethyl-1,3,5,7,9,11,13,15-heptadecaoctaenyl}-1,5,5-trimethyl-7-oxabicyclo[4.1.0]hept-3-yl acetate
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Formula C44H60O6
InChI InChI=1S/C44H60O6/c1-30(19-15-20-32(3)23-24-44-41(9,10)27-37(48-35(6)46)29-43(44,12)50-44)17-13-14-18-31(2)21-16-22-33(4)38-25-39-40(7,8)26-36(47-34(5)45)28-42(39,11)49-38/h13-25,36-38H,26-29H2,1-12H3/b14-13+,19-15+,21-16+,24-23+,30-17+,31-18+,32-20+,33-22+/t36-,37?,38?,42?,43?,44?/m1/s1
InChIKey OFUBKOIJZMBRKX-XBRCSVRNSA-N
Molecular Weight 684.958 g/mol
SMILES C12(C(CC(CC2(C)C)OC(=O)C)(C)O1)\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(C1C=C2C(C[C@](CC2(O1)C)(OC(=O)C)[H])(C)C)C)C)C)C
SPLASH splash10-0006-9060007000-ff3482841af6c51a8837
Source of Spectrum H-67-2153-0
Wiley ID 1414490