| SpectraBase Compound ID | FtU2HkCucw3 |
|---|---|
| InChI | InChI=1S/C40H56O/c1-31(18-12-19-33(3)24-26-37-34(4)21-14-28-39(37,6)7)16-10-11-17-32(2)20-13-23-36(30-41)25-27-38-35(5)22-15-29-40(38,8)9/h10-13,16-20,23-27,41H,14-15,21-22,28-30H2,1-9H3/b11-10+,18-12+,20-13+,26-24+,27-25+,31-16+,32-17+,33-19+,36-23- |
| InChIKey | QXVGBUAIDWOFQX-BRGFQONPSA-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 | 9Tv5j4lTgYz |
|---|---|
| Name | .beta.,.beta.-Caroten-19-ol |
| Alternate Name(s) | .beta.,.beta.-carotin-19-ol beta,.beta.-caroten-19-ol |
| CAS Registry Number | 87162-12-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H56O |
| InChI | InChI=1S/C40H56O/c1-31(18-12-19-33(3)24-26-37-34(4)21-14-28-39(37,6)7)16-10-11-17-32(2)20-13-23-36(30-41)25-27-38-35(5)22-15-29-40(38,8)9/h10-13,16-20,23-27,41H,14-15,21-22,28-30H2,1-9H3/b11-10+,18-12+,20-13+,26-24+,27-25+,31-16+,32-17+,33-19+,36-23- |
| InChIKey | QXVGBUAIDWOFQX-BRGFQONPSA-N |
| Molecular Weight | 552.887 g/mol |
| SMILES | OC\C(\C=C\C1=C(CCCC1(C)C)C)=C/C=C/C(=C/C=C/C=C/(\C=C\C=C\(\C=C\C1=C(CCCC1(C)C)C)C)C)C |
| SPLASH | splash10-0udj-5520090000-819ef6eb6a105077e088 |
| Source of Spectrum | H-66-1165-0 |
| Wiley ID | 1406038 |