| SpectraBase Compound ID | GkPPAApCbYI |
|---|---|
| InChI | InChI=1S/C44H62O5/c1-31(19-15-21-33(3)23-25-40-35(5)27-39(48-36(6)45)30-42(40,8)9)17-13-14-18-32(2)20-16-22-34(4)24-26-41(49-37(7)46)44(12)29-38(47)28-43(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-/m0/s1 |
| InChIKey | PLFSJQJIAJDXFY-YIJPIFCJSA-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 | hsTYwAUZLq |
|---|---|
| Name | Capsanthol 3,6'-diacetate |
| Alternate Name(s) | .beta.,.kappa.-Carotene-3,3',6'-triol-3,6'-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)27-39(48-36(6)45)30-42(40,8)9)17-13-14-18-32(2)20-16-22-34(4)24-26-41(49-37(7)46)44(12)29-38(47)28-43(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-/m0/s1 |
| InChIKey | PLFSJQJIAJDXFY-YIJPIFCJSA-N |
| Molecular Weight | 670.975 g/mol |
| SMILES | O[C@@]1(C[C@@]([C@@](\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C2=C(C[C@](CC2(C)C)(OC(=O)C)[H])C)C)C)C)C)(OC(=O)C)[H])(C(C1)(C)C)C)[H] |
| SPLASH | splash10-0006-9300001000-94a345f0f17baf835c9e |
| Source of Spectrum | H-85-2355-10 |
| Wiley ID | 1524442 |