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(2E,4E,6E,8E,10E,12E,14E,16E,18E)-1-[(1R,4S)-4-hydroxy-1,2,2-trimethyl-cyclopentyl]-4,8,13,17-tetramethyl-19-[(1R,2R,4S)-1,2,4-trihydroxy-2,6,6-trimethyl-cyclohexyl]nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one

Compound with spectra: 1 MS (GC)

(2E,4E,6E,8E,10E,12E,14E,16E,18E)-1-[(1R,4S)-4-hydroxy-1,2,2-trimethyl-cyclopentyl]-4,8,13,17-tetramethyl-19-[(1R,2R,4S)-1,2,4-trihydroxy-2,6,6-trimethyl-cyclohexyl]nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
SpectraBase Compound ID ps3yT8eUff
InChI InChI=1S/C40H58O5/c1-29(17-13-19-31(3)21-22-35(43)38(9)27-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40(45)37(7,8)26-34(42)28-39(40,10)44/h11-24,33-34,41-42,44-45H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t33-,34-,38-,39+,40+/m0/s1
InChIKey LYYDEPKDTUIGFR-YNKJSWFTSA-N
Mol Weight 618.9 g/mol
Molecular Formula C40H58O5
Exact Mass 618.428425 g/mol
Enantiomer InChIKey LYYDEPKDTUIGFR-KCXRWHBXSA-N

View Spectrum of (2E,4E,6E,8E,10E,12E,14E,16E,18E)-1-[(1R,4S)-4-hydroxy-1,2,2-trimethyl-cyclopentyl]-4,8,13,17-tetramethyl-19-[(1R,2R,4S)-1,2,4-trihydroxy-2,6,6-trimethyl-cyclohexyl]nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one

MS (GC) Spectrum
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Source of Spectrum H-81-1250-12
5,6-Dihydro-3,5,6,3'-tetrahydroxy-.beta.,.kappa.-carotene-6'-one
(3S,5R,6S,3'S,5'R)-5,6-Dihydro-3,5,6,3'-tetrahydroxy-.beta.,.kappa.-carotene-6'-one
(3S,5R,6R,3'S,5'R)-5,6-Dihydro-3,5,6,3'-tetrahydroxy-.beta.,.kappa.-carotene-6'-one
6-EPIHETEROXANTHIN
(5-S,6-R)-CRYPTOCAPSIN-5,6-EPOXIDE
(1S,3S,6R)-1,5,5-trimethyl-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohexenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-ol
(1R,3S,6S)-1,5,5-trimethyl-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohexenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-ol
FREHMAGLUTIN-A
(1S,3S,6R)-1,5,5-trimethyl-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1S,6R)-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-ol
(1R,3S,6S)-1,5,5-trimethyl-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R,6S)-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-ol
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