| SpectraBase Compound ID | KU6UAaOs3dQ |
|---|---|
| InChI | InChI=1S/C26H41IO3/c1-5-6-7-8-11-25(2,3)19-15-22(29)24-20-14-18(17-28)9-10-21(20)26(4,12-13-27)30-23(24)16-19/h15-16,18,20-21,28-29H,5-14,17H2,1-4H3/t18-,20-,21-,26+/m1/s1 |
| InChIKey | XDFCGCWTWSKRLQ-STLTWMRASA-N |
| Mol Weight | 528.5 g/mol |
| Molecular Formula | C26H41IO3 |
| Exact Mass | 528.21004 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1fEE1anaJPE |
|---|---|
| Name | 12.beta.-(Iodomethyl)-9-nor-9.beta.-(hydroxymethyl)hexahydrocannabinol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H41IO3 |
| InChI | InChI=1S/C26H41IO3/c1-5-6-7-8-11-25(2,3)19-15-22(29)24-20-14-18(17-28)9-10-21(20)26(4,12-13-27)30-23(24)16-19/h15-16,18,20-21,28-29H,5-14,17H2,1-4H3/t18-,20-,21-,26+/m1/s1 |
| InChIKey | XDFCGCWTWSKRLQ-STLTWMRASA-N |
| Molecular Weight | 528.515 g/mol |
| SMILES | OC[C@@]1(CC[C@@]2([C@](c3c(cc(cc3O[C@]2(CCI)C)C(CCCCCC)(C)C)O)(C1)[H])[H])[H] |
| SPLASH | splash10-004l-0931530000-c8e2108c8e046be9f397 |
| Source of Spectrum | F2-41-3605-8 |
| Synonyms | (6S,6aR,9R,10aR)-9-(hydroxymethyl)-6-(2-iodoethyl)-6-methyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydrobenzo[c][1]benzopyran-1-ol (6S,6aR,9R,10aR)-9-(hydroxymethyl)-6-(2-iodoethyl)-6-methyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol (6S,6aR,9R,10aR)-3-(1,1-dimethylheptyl)-9-(hydroxymethyl)-6-(2-iodoethyl)-6-methyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol (6S,6aR,9R,10aR)-9-(hydroxymethyl)-6-(2-iodanylethyl)-6-methyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol |
| Wiley ID | 1599844 |