| SpectraBase Compound ID | C7bgrcbjHQ4 |
|---|---|
| InChI | InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34,37,41,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,37+,40+/m1/s1 |
| InChIKey | AXFSQFLOAOUIDT-FLHVXDKDSA-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 | LQ9Jbe060sf |
|---|---|
| Name | (all-E,3R,5'R,6'S)-3,6'-Dihydroxy-.beta.,.kappa.-caroten-3'-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H56O3 |
| InChI | InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34,37,41,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,37+,40+/m1/s1 |
| InChIKey | AXFSQFLOAOUIDT-FLHVXDKDSA-N |
| Molecular Weight | 584.885 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@@]([C@]2(C(CC(C2)=O)(C)C)C)(O)[H])C)C)C)C)C(C1)(C)C)C)[H] |
| SPLASH | splash10-0aor-0900010000-7ec361a4ed81ffc929c3 |
| Source of Spectrum | H-84-269-5 |
| Wiley ID | 847407 |