| SpectraBase Spectrum ID |
5SI4xlx1kgb |
| Name |
(all-E,3R,3'R,6'R)-beta,xi-Carotene-3,3'-diol |
| Alternate Name(s) |
Lutein
(1R,4R)-4-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-((R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl)-3,5,5-trimethylcyclohex-2-en-1-ol |
| 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 |
| Literature Reference DOI |
10.1002_(SICI)1522-2675(19981007)81_10_1815 |
| 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 |
splash10-014j-0900010000-5e06c7ded16ebd261e5b |
| Source of Spectrum |
H-81-1819-3 |
| Wiley ID |
1787446 |
