| SpectraBase Compound ID | IuwdrDO77VT |
|---|---|
| InChI | InChI=1S/C40H58O2/c1-31(19-13-21-33(3)24-25-36-35(5)23-15-27-37(36,6)7)17-11-12-18-32(2)20-14-22-34(4)26-30-40(42)38(8,9)28-16-29-39(40,10)41/h11-14,17-22,24-26,30,41-42H,15-16,23,27-29H2,1-10H3/b12-11+,19-13+,20-14+,25-24+,30-26+,31-17+,32-18+,33-21+,34-22- |
| InChIKey | KMNYPCCYKRMTMK-XBGWZHJLSA-N |
| Mol Weight | 570.9 g/mol |
| Molecular Formula | C40H58O2 |
| Exact Mass | 570.443681 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Fca238sb2LO |
|---|---|
| Name | .beta.,.beta.-Carotene, 5,6-dihydro-5,6-dihydroxy-, 9'-cis- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 570.443681106 u |
| Formula | C40H58O2 |
| InChI | InChI=1S/C40H58O2/c1-31(19-13-21-33(3)24-25-36-35(5)23-15-27-37(36,6)7)17-11-12-18-32(2)20-14-22-34(4)26-30-40(42)38(8,9)28-16-29-39(40,10)41/h11-14,17-22,24-26,30,41-42H,15-16,23,27-29H2,1-10H3/b12-11+,19-13+,20-14+,25-24+,30-26+,31-17+,32-18+,33-21+,34-22- |
| InChIKey | KMNYPCCYKRMTMK-XBGWZHJLSA-N |
| Molecular Weight | 570.902 g/mol |
| SMILES | C1(\C=C\C(=C/C=C/C(=C/C=C/C=C/(\C=C\C=C\(\C=C\C2=C(CCCC2(C)C)C)C)C)C)C)(C(O)(CCCC1(C)C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.923957 |