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6-Epikarpoxanthin

View entire compound with spectra: 1 MS (GC)

6-Epikarpoxanthin
SpectraBase Compound ID HzandSRhX8V
InChI InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-24,34-35,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1
InChIKey DJOWTWWHMWQATC-OYQUVCAXSA-N
Mol Weight 602.9 g/mol
Molecular Formula C40H58O4
Exact Mass 602.43351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2QRM7PdSL2
Name 6-Epikarpoxanthin
Alternate Name(s) (3S,5R,6S)-5,6-Dihydro-.beta.,.beta.-carotene-3,5,6,3'-tetrol (3S,5R,6S)-5,6-dihydro-beta,.beta.-carotene-3,3',5,6-tetrol (3S,5R,6S,3'R)-5,6-Dihydro-.beta.,.beta.-carotene-3,5,6,3'-tetrol (1S,2R,4S)-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,6,6-trimethylcyclohexane-1,2,4-triol (1S,2R,4S)-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,6,6-trimethylcyclohexane-1,2,4-triol (1S,2R,4S)-2,6,6-trimethyl-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(4R)-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexane-1,2,4-triol
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Formula C40H58O4
InChI InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-24,34-35,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1
InChIKey DJOWTWWHMWQATC-OYQUVCAXSA-N
Molecular Weight 602.900 g/mol
SMILES O[C@@]1(C[C@]([C@@](C(C1)(C)C)(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C1=C(C[C@](CC1(C)C)(O)[H])C)C)C)C)C)O)(O)C)[H]
SPLASH splash10-0pc0-1910033000-59600d04549b688d032f
Source of Spectrum H-82-2000-4
Wiley ID 815673