| SpectraBase Compound ID | JrwUdUahMUN |
|---|---|
| InChI | InChI=1S/C30H50O2/c1-19(2)20-9-10-21-25(20,3)15-17-28(6)23-13-14-29(7)22(11-12-24(31)30(29,8)32)26(23,4)16-18-27(21,28)5/h19-23,32H,9-18H2,1-8H3/t20-,21?,22?,23?,25-,26+,27+,28-,29+,30-/m1/s1 |
| InChIKey | IITMKAZDNIJALN-PREZUQMCSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C30H50O2 |
| Exact Mass | 442.381081 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CMS5vnlJPzv |
|---|---|
| Name | 4.alpha.-Hydroxyfilican-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O2 |
| InChI | InChI=1S/C30H50O2/c1-19(2)20-9-10-21-25(20,3)15-17-28(6)23-13-14-29(7)22(11-12-24(31)30(29,8)32)26(23,4)16-18-27(21,28)5/h19-23,32H,9-18H2,1-8H3/t20-,21?,22?,23?,25-,26+,27+,28-,29+,30-/m1/s1 |
| InChIKey | IITMKAZDNIJALN-PREZUQMCSA-N |
| Molecular Weight | 442.728 g/mol |
| SMILES | O[C@]1([C@@]2(C([C@]3(C([C@@]4([C@](C5[C@]([C@@](C(C)C)(CC5)[H])(C)CC4)(CC3)C)C)CC2)C)CCC1=O)C)C |
| SPLASH | splash10-0006-0002900000-068cdb21a2e5289bd451 |
| Source of Spectrum | E2-50-1275-1 |
| Wiley ID | 1555896 |