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LUTEIN;(3R,3'R,6'R)-BETA,EPSILON-CAROTENE-3,3'-DIOL
SpectraBase Compound ID u9cTK6hIb3
InChI InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37-/m0/s1
InChIKey KBPHJBAIARWVSC-RGZFRNHPSA-N
Mol Weight 568.9 g/mol
Molecular Formula C40H56O2
Exact Mass 568.428031 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J0M7ecJ80vY
Name Lutein, all-trans-
Alternate Name(s) 4',5'-Didehydro-6'-hydro-.beta.-carotene-3,3'-diol (3R,3'R,6'R)-Lutein all-trans-(+)-Xanthophyll Lutein all-trans-Lutein trans-Lutein Bo-Xan Lutein ester .beta.,.epsilon.-Carotene-3,3'-diol, (3R,3'R,6'R)- Luteine Vegetable lutein Vegetable luteol Xanthophyll, all-trans-(+)- all-trans-Xanthophyll .beta.,.epsilon.-Carotene-3,3'-diol Xanthophyll
CAS Registry Number 127-40-2
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H56O2
InChI InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37-/m0/s1
InChIKey KBPHJBAIARWVSC-RGZFRNHPSA-N
Molecular Weight 568.886 g/mol
SMILES O[C@]1(CC(C(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\[C@@]2(C(C[C@](C=C2C)(O)[H])(C)C)[H])C)C)C)C)=C(C1)C)(C)C)[H]
SPLASH splash10-06dl-8920010000-7feee731976fc99bec13
Source of Spectrum W5-1989-34878-30658
Wiley ID 1407598