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5,6-Dihydro-.3,3'-diacetyl-5,6-dihydroxy-.beta.,.kappa.-carotene-6'-one

View entire compound with spectra: 1 MS (GC)

5,6-Dihydro-.3,3'-diacetyl-5,6-dihydroxy-.beta.,.kappa.-carotene-6'-one
SpectraBase Compound ID 280L8SOuBU1
InChI InChI=1S/C44H62O7/c1-31(19-15-21-33(3)23-24-39(47)42(11)29-37(50-35(5)45)27-40(42,7)8)17-13-14-18-32(2)20-16-22-34(4)25-26-44(49)41(9,10)28-38(51-36(6)46)30-43(44,12)48/h13-26,37-38,48-49H,27-30H2,1-12H3/b14-13+,19-15+,20-16+,24-23+,26-25+,31-17+,32-18+,33-21+,34-22+
InChIKey GPEATWMBSLDBOD-TVZWEWCESA-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 D0UXeqATgda
Name 5,6-Dihydro-.3,3'-diacetyl-5,6-dihydroxy-.beta.,.kappa.-carotene-6'-one
Alternate Name(s) 3-{(2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-[4-(acetyloxy)-1,2-dihydroxy-2,6,6-trimethylcyclohexyl]-4,8,13,17-tetramethyl-2,4,6,8,10,12,14,16,18-nonadecanonaenoyl}-3,4,4-trimethylcyclopentyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H62O7
InChI InChI=1S/C44H62O7/c1-31(19-15-21-33(3)23-24-39(47)42(11)29-37(50-35(5)45)27-40(42,7)8)17-13-14-18-32(2)20-16-22-34(4)25-26-44(49)41(9,10)28-38(51-36(6)46)30-43(44,12)48/h13-26,37-38,48-49H,27-30H2,1-12H3/b14-13+,19-15+,20-16+,24-23+,26-25+,31-17+,32-18+,33-21+,34-22+
InChIKey GPEATWMBSLDBOD-TVZWEWCESA-N
Molecular Weight 702.973 g/mol
SMILES OC1(C(C(CC(C1)OC(=O)C)(C)C)(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C(C1(C(CC(C1)OC(=O)C)(C)C)C)=O)C)C)C)C)O)C
SPLASH splash10-0536-7920001000-df32496f5614f8ebe2cb
Source of Spectrum H-81-1241-0
Wiley ID 1415113