| SpectraBase Compound ID | FpX0Q2ooGiZ |
|---|---|
| InChI | InChI=1S/C31H42O3/c1-23(13-9-10-14-24(2)17-12-18-26(4)27(5)32)15-11-16-25(3)19-20-29-30(6,7)21-28(33)22-31(29,8)34/h9-19,28,33-34H,21-22H2,1-8H3/b10-9+,15-11+,17-12+,23-13+,24-14+,25-16+,26-18+/t20?,28-,31+/m0/s1 |
| InChIKey | DBFXUHLRCRLMIU-CQGPZTBISA-N |
| Mol Weight | 462.7 g/mol |
| Molecular Formula | C31H42O3 |
| Exact Mass | 462.313395 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8qo7fc85W85 |
|---|---|
| Name | (3E,5E,7E,9E,11E,13E,15E)-18-[(2R,4S)-2,4-dihydroxy-2,6,6-trimethyl-cyclohexylidene]-3,7,12,16-tetramethyl-octadeca-3,5,7,9,11,13,15,17-octaen-2-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H42O3 |
| InChI | InChI=1S/C31H42O3/c1-23(13-9-10-14-24(2)17-12-18-26(4)27(5)32)15-11-16-25(3)19-20-29-30(6,7)21-28(33)22-31(29,8)34/h9-19,28,33-34H,21-22H2,1-8H3/b10-9+,15-11+,17-12+,23-13+,24-14+,25-16+,26-18+/t20?,28-,31+/m0/s1 |
| InChIKey | DBFXUHLRCRLMIU-CQGPZTBISA-N |
| Molecular Weight | 462.674 g/mol |
| SMILES | O[C@]1(CC(C([C@@](C1)(O)C)=C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(C(=O)C)C)C)C)C)(C)C)[H] |
| SPLASH | splash10-03di-0000900000-1190073a3cc87dd75a2d |
| Source of Spectrum | X2-48-612-7 |
| Synonyms | (all E)-(3S,5R,6R)-Paracentrone (3E,5E,7E,9E,11E,13E,15E)-18-[(2R,4S)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene]-3,7,12,16-tetramethyl-2-octadeca-3,5,7,9,11,13,15,17-octaenone (3E,5E,7E,9E,11E,13E,15E)-18-[(2R,4S)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15,17-octaen-2-one (3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-18-[(4S,6R)-2,2,6-trimethyl-4,6-bis(oxidanyl)cyclohexylidene]octadeca-3,5,7,9,11,13,15,17-octaen-2-one |
| Wiley ID | 1601725 |