| SpectraBase Compound ID | 2GppBnAtlR2 |
|---|---|
| InChI | InChI=1S/C25H40O4/c1-5-6-7-8-11-24(2,3)18-13-21(28)23-19-12-17(15-26)9-10-20(19)25(4,16-27)29-22(23)14-18/h13-14,17,19-20,26-28H,5-12,15-16H2,1-4H3/t17-,19-,20-,25+/m1/s1 |
| InChIKey | WRLLNWFSIGDIRC-ILDDTBCLSA-N |
| Mol Weight | 404.6 g/mol |
| Molecular Formula | C25H40O4 |
| Exact Mass | 404.29266 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IDawuQPHuuL |
|---|---|
| Name | 12.beta.-Hydroxy-9-nor-9.beta.-(hydroxymethyl)hexahydrocannabinol |
| Alternate Name(s) | (6R,6aR,9R,10aR)-6,9-bis(hydroxymethyl)-6-methyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydrobenzo[c][1]benzopyran-1-ol (6R,6aR,9R,10aR)-3-(1,1-dimethylheptyl)-6,9-bis(hydroxymethyl)-6-methyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol (6R,6aR,9R,10aR)-6,9-bis(hydroxymethyl)-6-methyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H40O4 |
| InChI | InChI=1S/C25H40O4/c1-5-6-7-8-11-24(2,3)18-13-21(28)23-19-12-17(15-26)9-10-20(19)25(4,16-27)29-22(23)14-18/h13-14,17,19-20,26-28H,5-12,15-16H2,1-4H3/t17-,19-,20-,25+/m1/s1 |
| InChIKey | WRLLNWFSIGDIRC-ILDDTBCLSA-N |
| Molecular Weight | 404.591 g/mol |
| SMILES | OC[C@@]1(CC[C@@]2([C@](c3c(cc(cc3O[C@]2(CO)C)C(CCCCCC)(C)C)O)(C1)[H])[H])[H] |
| SPLASH | splash10-00di-0119300000-4ce78c2a647cea5eb90c |
| Source of Spectrum | F2-41-3603-5 |
| Wiley ID | 1599864 |