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(1R,3S,6S)-1,5,5-trimethyl-6-[(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]-7-oxabicyclo[4.1.0]heptan-3-ol

Compound with spectra: 1 MS (GC)

(1R,3S,6S)-1,5,5-trimethyl-6-[(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]-7-oxabicyclo[4.1.0]heptan-3-ol
SpectraBase Compound ID 4pHsEl55tux
InChI InChI=1S/C40H56O3/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)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-24,34-35,41-42H,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 OFNSUWBAQRCHAV-OYQUVCAXSA-N
Mol Weight 584.9 g/mol
Molecular Formula C40H56O3
Exact Mass 584.422946 g/mol
Enantiomer InChIKey OFNSUWBAQRCHAV-GNVSPIOGSA-N

View Spectrum of (1R,3S,6S)-1,5,5-trimethyl-6-[(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]-7-oxabicyclo[4.1.0]heptan-3-ol

MS (GC) Spectrum
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Source of Spectrum G4-63-963-2
(3S,5R,6S,3'R)-NEOANTHERAXANTHIN B
(3S,5S,6R,3'R)-ANTHERAXANTHIN
(3S,5S,6R,3'R)-NEOANTHERAXANTHIN A'
(3S,5S,6R,3'R)-NEOANTHERAXANTHIN B'
(3S,5R,6S,3'R)-NEOANTHERAXANTHIN B'
(3S,5S,6R,3'R)-NEOANTHERAXANTHIN B
(1R,3S,6S)-1,5,5-trimethyl-6-[(1E,3Z,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]-7-oxabicyclo[4.1.0]heptan-3-ol
(3S,5R,6S,3'R)-NEOANTHERAXANTHIN A
(3S,5S,6R,3'R)-NEOANTHERAXANTHIN A
(3S,5R,6S,3'R)-NEOANTHERAXANTHIN A'
(3S,5R,6S,3'R)-ANTHERAXANTHIN
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