| SpectraBase Compound ID | 9BeUGYa71Ud |
|---|---|
| InChI | InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15-,30-16+,31-19+,32-20+/t34-,35-,39+,40+/m0/s1 |
| InChIKey | LMIFPRVTIOZTJN-QRECMAHOSA-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 | 8e3Dk0R9EoF |
|---|---|
| Name | (13' Z)-cucurbitaxanthin A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H56O3 |
| InChI | InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15-,30-16+,31-19+,32-20+/t34-,35-,39+,40+/m0/s1 |
| InChIKey | LMIFPRVTIOZTJN-QRECMAHOSA-N |
| Molecular Weight | 584.885 g/mol |
| SMILES | O[C@]1([C@]2(\C=C\C(=C\C=C\C(=C\C=C\C=C/(\C=C\C=C\(\C=C\C=3C(C[C@](CC3C)(O)[H])(C)C)C)C)C)C)O[C@](C1)(CC2(C)C)[H])C |
| SPLASH | splash10-000x-9520030000-7b193ca773ebeb2d19c8 |
| Source of Spectrum | H-83-1540-5 |
| Synonyms | (13' Z)-3,6-Epoxy-5,6-dihydro-.beta.,.beta.-carotene-5,3'-diol |
| Wiley ID | 847152 |