| SpectraBase Compound ID | E2p38agQt5c |
|---|---|
| InChI | InChI=1S/C60H98O/c1-49(2)25-14-26-50(3)27-15-28-51(4)29-16-30-52(5)31-17-32-53(6)33-18-34-54(7)35-19-36-55(8)37-20-38-56(9)39-21-40-57(10)41-22-42-58(11)43-23-44-59(12)45-24-46-60(13)47-48-61/h25,27,29,31,33,35,37,39,41,43,45,47,61H,14-24,26,28,30,32,34,36,38,40,42,44,46,48H2,1-13H3/b50-27+,51-29+,52-31+,53-33+,54-35+,55-37+,56-39+,57-41+,58-43+,59-45+,60-47+ |
| InChIKey | BDMCAOBQLHJGBE-GNZYJLLNSA-N |
| Mol Weight | 835.4 g/mol |
| Molecular Formula | C60H98O |
| Exact Mass | 834.761768 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JRjcspeMAur |
|---|---|
| Name | 2,6,10,14,18,22,26,30,34,38,42,46-Octatetracontadodecaen-1-ol, 3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyl- |
| Alternate Name(s) | Castaprenol 12 |
| CAS Registry Number | 17093-81-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C60H98O |
| InChI | InChI=1S/C60H98O/c1-49(2)25-14-26-50(3)27-15-28-51(4)29-16-30-52(5)31-17-32-53(6)33-18-34-54(7)35-19-36-55(8)37-20-38-56(9)39-21-40-57(10)41-22-42-58(11)43-23-44-59(12)45-24-46-60(13)47-48-61/h25,27,29,31,33,35,37,39,41,43,45,47,61H,14-24,26,28,30,32,34,36,38,40,42,44,46,48H2,1-13H3/b50-27+,51-29+,52-31+,53-33+,54-35+,55-37+,56-39+,57-41+,58-43+,59-45+,60-47+ |
| InChIKey | BDMCAOBQLHJGBE-GNZYJLLNSA-N |
| Molecular Weight | 835.443 g/mol |
| SMILES | OC\C=C\(CC\C=C\(CC\C=C\(CC\C=C\(CC\C=C\(CC\C=C\(CC\C=C\(CC\C=C\(CC\C=C\(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)C)C)C)C)C)C)C)C |
| SPLASH | splash10-000i-0932120000-ac0edf471d732550a586 |
| Source of Spectrum | W-13-382-23 |
| Wiley ID | 1417580 |