| SpectraBase Compound ID | Ey2IBLAHHmd |
|---|---|
| InChI | InChI=1S/C32H44O2/c1-25(15-10-17-27(3)19-12-22-33)13-8-9-14-26(2)16-11-18-28(4)20-21-31-29(5)23-30(34)24-32(31,6)7/h8-21,30,33-34H,22-24H2,1-7H3/b9-8+,15-10+,16-11+,19-12+,21-20+,25-13+,26-14+,27-17+,28-18+/t30-/m1/s1 |
| InChIKey | UKMDUGPSKIYGBX-MPWWCMQKSA-N |
| Mol Weight | 460.7 g/mol |
| Molecular Formula | C32H44O2 |
| Exact Mass | 460.334131 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2JKWnLV7HTE |
|---|---|
| Name | (all-E,3R)-6'apo-beta-Carotene-3,6'-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 460.334130655 u |
| Formula | C32H44O2 |
| InChI | InChI=1S/C32H44O2/c1-25(15-10-17-27(3)19-12-22-33)13-8-9-14-26(2)16-11-18-28(4)20-21-31-29(5)23-30(34)24-32(31,6)7/h8-21,30,33-34H,22-24H2,1-7H3/b9-8+,15-10+,16-11+,19-12+,21-20+,25-13+,26-14+,27-17+,28-18+/t30-/m1/s1 |
| InChIKey | UKMDUGPSKIYGBX-MPWWCMQKSA-N |
| Molecular Weight | 460.702 g/mol |
| SMILES | CC1(C)C[C@](O)(CC(C)=C1\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\CO)C)C)C)C)[H] |