| SpectraBase Compound ID | G1q3swkabtE |
|---|---|
| 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/h11-25,34-36,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+ |
| InChIKey | DYUUPIKEWLHQGQ-IMJKPWSQSA-N |
| Mol Weight | 584.9 g/mol |
| Molecular Formula | C40H56O3 |
| Exact Mass | 584.422946 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3ztECn2aQGb |
|---|---|
| Name | .beta.,.epsilon.-Carotene-3,3'-diol, 5,6-epoxy-5,6-dihydro-, (3S,3'R,5R,6S,6'R)- |
| CAS Registry Number | 28368-08-3 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H56O3 |
| 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/h11-25,34-36,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+ |
| InChIKey | DYUUPIKEWLHQGQ-IMJKPWSQSA-N |
| Molecular Weight | 584.885 g/mol |
| SMILES | OC1CC2(OC2(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C2C(=CC(CC2(C)C)O)C)C)C)C)C)C(C1)(C)C)C |
| SPLASH | splash10-000x-9331140000-0d107e8d632383eca0c5 |
| Source of Spectrum | W5-37706-27830-27830 |
| Synonyms | 6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-Hydroxy-2,6,6-trimethyl-2-cyclohexen-1-yl)-3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol 1,5,5-trimethyl-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-ol 6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol 6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethyl-cyclohex-2-en-1-yl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol Lutein 5,6-epoxide |
| Wiley ID | 1408906 |