| SpectraBase Compound ID | GqLLbusYBmo |
|---|---|
| InChI | InChI=1S/C41H72O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-39(43)44-34-27-29-40(3)33(31-34)23-24-35-37-26-25-36(32(2)42)41(37,4)30-28-38(35)40/h33-38H,5-31H2,1-4H3/t33-,34?,35-,36+,37-,38-,40-,41+/m0/s1 |
| InChIKey | YNZGLZQJRWLTEW-RRANNVHLSA-N |
| Mol Weight | 613.0 g/mol |
| Molecular Formula | C41H72O3 |
| Exact Mass | 612.548146 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4DB5uFQjZ4r |
|---|---|
| Name | 5.alpha.-pregnanolone arachidate |
| Alternate Name(s) | 5.alpha.-eicosanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C41H72O3 |
| InChI | InChI=1S/C41H72O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-39(43)44-34-27-29-40(3)33(31-34)23-24-35-37-26-25-36(32(2)42)41(37,4)30-28-38(35)40/h33-38H,5-31H2,1-4H3/t33-,34?,35-,36+,37-,38-,40-,41+/m0/s1 |
| InChIKey | YNZGLZQJRWLTEW-RRANNVHLSA-N |
| Molecular Weight | 613.024 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CCC(OC(=O)CCCCCCCCCCCCCCCCCCC)C4)C)[H])[H])(CC[C@@]1(C(=O)C)[H])[H])C |
| SPLASH | splash10-0537-9431000000-cd9d27829cf6b67bbad0 |
| Source of Spectrum | KO-16-171-5 |
| Wiley ID | 1411102 |