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(all-E,3R,6'R)-3',4'-Didehydro-beta,gamma-caroten-3-ol

View entire compound with spectra: 1 MS (GC)

(all-E,3R,6'R)-3',4'-Didehydro-beta,gamma-caroten-3-ol
SpectraBase Compound ID xMOjyTAVuE
InChI InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-15,17-26,30,36-37,41H,5,16,27-29H2,1-4,6-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,31-17+,32-20+,33-21+/t30?,36-,37+/m1/s1
InChIKey SIRNLTYFQBTLKW-GYIMYXOESA-N
Mol Weight 552.9 g/mol
Molecular Formula C40H56O
Exact Mass 552.433116 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J2G7yXxnrjG
Name (all-E,3R,6'R)-3',4'-Didehydro-beta,gamma-caroten-3-ol
Alternate Name(s) Anhydrolutein I (1R)-4-((1E,3E,5E,7E,9E,13E,15E,17E)-18-((R)-6,6-dimethyl-2-methylenecyclohex-3-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,13,15,17-octaen-1-yl)-3,5,5-trimethylcyclohex-3-en-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H56O
InChI InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-15,17-26,30,36-37,41H,5,16,27-29H2,1-4,6-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,31-17+,32-20+,33-21+/t30?,36-,37+/m1/s1
InChIKey SIRNLTYFQBTLKW-GYIMYXOESA-N
Molecular Weight 552.887 g/mol
SMILES O[C@]1(CC(C(\C=C\C(=C\C=C\C(=C\C=C\CC(C)\C=C\C=C\(\C=C\[C@@]2(C(CC=CC2=C)(C)C)[H])C)C)C)=C(C)C1)(C)C)[H]
SPLASH splash10-0udi-0100090000-d07c4953cddae37ae9ab
Source of Spectrum CBD-2-934-2
Wiley ID 1792494