| SpectraBase Compound ID | AXkf4kzpm2K |
|---|---|
| InChI | InChI=1S/C42H58O3/c1-30(18-14-20-32(3)22-24-39-34(5)26-37(44)28-41(39,8)9)16-12-13-17-31(2)19-15-21-33(4)23-25-40-35(6)27-38(45-36(7)43)29-42(40,10)11/h12-26,37-39,44H,27-29H2,1-11H3/b13-12+,18-14+,19-15+,24-22+,25-23+,30-16+,31-17+,32-20+,33-21+/t37-,38-,39?/m1/s1 |
| InChIKey | DPRVOPNEXZNBGX-ZOBCRQLMSA-N |
| Mol Weight | 610.9 g/mol |
| Molecular Formula | C42H58O3 |
| Exact Mass | 610.438596 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LQt6U85YA5n |
|---|---|
| Name | Lutein - 3-acetate |
| Alternate Name(s) | (3S,3'R)-3-hydroxy-4,5-didehydro-5,6-dihydro-beta,.beta.-caroten-3'-yl acetate 3-(Acetoxy)-3'-hydroxy-.beta.,.epsilon.-carotene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C42H58O3 |
| InChI | InChI=1S/C42H58O3/c1-30(18-14-20-32(3)22-24-39-34(5)26-37(44)28-41(39,8)9)16-12-13-17-31(2)19-15-21-33(4)23-25-40-35(6)27-38(45-36(7)43)29-42(40,10)11/h12-26,37-39,44H,27-29H2,1-11H3/b13-12+,18-14+,19-15+,24-22+,25-23+,30-16+,31-17+,32-20+,33-21+/t37-,38-,39?/m1/s1 |
| InChIKey | DPRVOPNEXZNBGX-ZOBCRQLMSA-N |
| Molecular Weight | 610.923 g/mol |
| SMILES | O[C@]1(CC(C(C(=C1)C)\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C1=C(C[C@](CC1(C)C)(OC(=O)C)[H])C)C)C)C)C)(C)C)[H] |
| SPLASH | splash10-03di-0700019000-5da951d047051e850166 |
| Source of Spectrum | H-85-2356-19 |
| Wiley ID | 1524650 |