| SpectraBase Compound ID | IlDDJRW5OBW |
|---|---|
| InChI | InChI=1S/C30H52O2/c1-23(2)13-9-14-24(3)15-10-16-25(4)17-11-18-27(31)30(8)22-19-26-28(5,6)20-12-21-29(26,7)32-30/h13,15,17,26-27,31H,9-12,14,16,18-22H2,1-8H3/b24-15+,25-17+/t26-,27+,29-,30+/m0/s1 |
| InChIKey | BVUCIDSUNXSQIA-GPHXDKKWSA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C30H52O2 |
| Exact Mass | 444.396731 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4auZenNwq1b |
|---|---|
| Name | 5,9,13-Trimethyl-1-((3R,4S,4aS)-2,5,5,8a-tetramethyl-octahydro-chromen-2-yl)-tetradeca-4,8,12-trien-1-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H52O2 |
| InChI | InChI=1S/C30H52O2/c1-23(2)13-9-14-24(3)15-10-16-25(4)17-11-18-27(31)30(8)22-19-26-28(5,6)20-12-21-29(26,7)32-30/h13,15,17,26-27,31H,9-12,14,16,18-22H2,1-8H3/b24-15+,25-17+/t26-,27+,29-,30+/m0/s1 |
| InChIKey | BVUCIDSUNXSQIA-GPHXDKKWSA-N |
| Molecular Weight | 444.744 g/mol |
| SMILES | O[C@@]([C@@]1(O[C@@]2([C@](C(CCC2)(C)C)(CC1)[H])C)C)(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)[H] |
| SPLASH | splash10-002b-3900000000-55fe86df751091ceec1a |
| Source of Spectrum | F5-3-3136-23 |
| Synonyms | 8-(1'-Hydroxy-5',9',13'-trimethyltetradeca-4',8',12'-trienyl)-4,4,8,9-tetramethyl-perhydrochromene (R,4E,8E)-5,9,13-trimethyl-1-((2R,4aS,8aS)-2,5,5,8a-tetramethyloctahydro-2H-chromen-2-yl)tetradeca-4,8,12-trien-1-ol (1R,4E,8E)-1-[(2R,4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1-benzopyran-2-yl]-5,9,13-trimethyl-1-tetradeca-4,8,12-trienol (1R,4E,8E)-1-[(2R,4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydrochromen-2-yl]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol |
| Wiley ID | 1732451 |