| SpectraBase Compound ID | 9qXjlZaTO5t |
|---|---|
| InChI | InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-14,16-21,23-26,38,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+ |
| InChIKey | JCRCKXUPYKELBT-QQGJMDNJSA-N |
| Mol Weight | 552.9 g/mol |
| Molecular Formula | C40H56O |
| Exact Mass | 552.433116 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7cvkVhF8tar |
|---|---|
| Name | .beta.,.beta.-Caroten-4-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H56O |
| InChI | InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-14,16-21,23-26,38,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+ |
| InChIKey | JCRCKXUPYKELBT-QQGJMDNJSA-N |
| Molecular Weight | 552.887 g/mol |
| SMILES | OC1C(=C(\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(CC1)(C)C)C |
| SPLASH | splash10-000x-5000090000-c58693c395745d27ccd5 |
| Source of Spectrum | F5-2-2504-3 |
| Synonyms | 2,4,4-trimethyl-3-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl)cyclohex-2-enol 2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohexenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1-cyclohex-2-enol |
| Wiley ID | 1732037 |