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Di-O-acetyl of Latoxanthin or (9'Z)-Latoxanthin
SpectraBase Compound ID HqJ40HVCidR
InChI InChI=1S/C44H62O7/c1-31(19-15-21-33(3)23-25-43(48)39(7,8)27-37(49-35(5)45)29-41(43,11)47)17-13-14-18-32(2)20-16-22-34(4)24-26-44-40(9,10)28-38(50-36(6)46)30-42(44,12)51-44/h13-26,37-38,47-48H,27-30H2,1-12H3/b14-13+,19-15+,20-16+,25-23+,26-24+,31-17+,32-18+,33-21+,34-22+/t37-,38-,41+,42+,43+,44-/m0/s1
InChIKey XDPVHQVUQZEEQI-JVELDZLGSA-N
Mol Weight 703.0 g/mol
Molecular Formula C44H62O7
Exact Mass 702.449554 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BCFZsvE8L2c
Name Di-O-acetyl of Latoxanthin or (9'Z)-Latoxanthin
Alternate Name(s) (1R,3S,6S)-6-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,2R,4S)-4-(acetyloxy)-1,2-dihydroxy-2,6,6-trimethylcyclohexyl]-3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaenyl}-1,5,5-trimethyl-7-oxabicyclo[4.1.0]hept-3-yl acetate
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Formula C44H62O7
InChI InChI=1S/C44H62O7/c1-31(19-15-21-33(3)23-25-43(48)39(7,8)27-37(49-35(5)45)29-41(43,11)47)17-13-14-18-32(2)20-16-22-34(4)24-26-44-40(9,10)28-38(50-36(6)46)30-42(44,12)51-44/h13-26,37-38,47-48H,27-30H2,1-12H3/b14-13+,19-15+,20-16+,25-23+,26-24+,31-17+,32-18+,33-21+,34-22+/t37-,38-,41+,42+,43+,44-/m0/s1
InChIKey XDPVHQVUQZEEQI-JVELDZLGSA-N
Molecular Weight 702.973 g/mol
SMILES O[C@]1([C@@](\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\[C@]23[C@](C[C@](CC3(C)C)(OC(=O)C)[H])(C)O2)C)C)C)C)(C(C[C@@](C1)(OC(=O)C)[H])(C)C)O)C
SPLASH splash10-0006-9020001100-d28f7700475d94756085
Source of Spectrum H-67-2154-0
Wiley ID 1415111