| SpectraBase Compound ID | 536I9mK8kcJ |
|---|---|
| InChI | InChI=1S/C44H62O5/c1-31(19-15-21-33(3)23-25-40-35(5)27-38(48-36(6)45)28-42(40,8)9)17-13-14-18-32(2)20-16-22-34(4)24-26-41(47)44(12)30-39(49-37(7)46)29-43(44,10)11/h13-26,38-39,41,47H,27-30H2,1-12H3/b14-13+,19-15+,20-16+,25-23+,26-24+,31-17+,32-18+,33-21+,34-22+/t38-,39+,41-,44+/m1/s1 |
| InChIKey | FXMJVVPAJXJYJC-FRCUIMFASA-N |
| Mol Weight | 671.0 g/mol |
| Molecular Formula | C44H62O5 |
| Exact Mass | 670.459725 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 202YfFyjfej |
|---|---|
| Name | Capsanthol 3,3'-diacetate |
| Alternate Name(s) | .beta.,.kappa.-Carotene-3,3',6'-triol-3,3'-diacetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C44H62O5 |
| InChI | InChI=1S/C44H62O5/c1-31(19-15-21-33(3)23-25-40-35(5)27-38(48-36(6)45)28-42(40,8)9)17-13-14-18-32(2)20-16-22-34(4)24-26-41(47)44(12)30-39(49-37(7)46)29-43(44,10)11/h13-26,38-39,41,47H,27-30H2,1-12H3/b14-13+,19-15+,20-16+,25-23+,26-24+,31-17+,32-18+,33-21+,34-22+/t38-,39+,41-,44+/m1/s1 |
| InChIKey | FXMJVVPAJXJYJC-FRCUIMFASA-N |
| Molecular Weight | 670.975 g/mol |
| SMILES | O[C@@]([C@]1(C(C[C@@](C1)(OC(=O)C)[H])(C)C)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)[H] |
| SPLASH | splash10-0abi-1908005000-fbdbb1ac6711547174bf |
| Source of Spectrum | H-85-2355-8 |
| Wiley ID | 1524443 |