| SpectraBase Compound ID | 7MOTEKqwyY0 |
|---|---|
| InChI | InChI=1S/C40H56O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-25,34-35,37-38,41-43H,26-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,35+,37-,38?/m1/s1 |
| InChIKey | RDHCMKIXMMGSAD-TUTXOJBXSA-N |
| Mol Weight | 584.9 g/mol |
| Molecular Formula | C40H56O3 |
| Exact Mass | 584.422946 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DvJjYoagY4U |
|---|---|
| Name | .beta.,.Epsilon.-carotene-3,3',4-triol, (3S,3'R,6'R)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 584.422945660 u |
| Formula | C40H56O3 |
| InChI | InChI=1S/C40H56O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-25,34-35,37-38,41-43H,26-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,35+,37-,38?/m1/s1 |
| InChIKey | RDHCMKIXMMGSAD-TUTXOJBXSA-N |
| Molecular Weight | 584.885 g/mol |
| SMILES | C1(=C(C(O)[C@@](CC1(C)C)(O)[H])C)\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\[C@]1(C(=C[C@](CC1(C)C)(O)[H])C)[H])C)C)C)C |