| SpectraBase Compound ID | 9mEcs3Yt8H7 |
|---|---|
| InChI | InChI=1S/C27H43IO3/c1-5-6-7-8-12-26(2,3)20-16-23(30)25-21-15-19(18-29)10-11-22(21)27(4,13-9-14-28)31-24(25)17-20/h16-17,19,21-22,29-30H,5-15,18H2,1-4H3/t19-,21-,22-,27+/m1/s1 |
| InChIKey | FGPMIFWWXRALGV-UOTIDGTBSA-N |
| Mol Weight | 542.5 g/mol |
| Molecular Formula | C27H43IO3 |
| Exact Mass | 542.22569 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GNfZSxIcp4f |
|---|---|
| Name | 12.beta.-(2-Iodoethyl)-9-nor-9-.beta.-(hydroxymethyl)hexahydrocannabinol |
| Alternate Name(s) | (6S,6aR,9R,10aR)-9-(hydroxymethyl)-6-(3-iodopropyl)-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-(3-iodopropyl)-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-(3-iodopropyl)-6-methyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol (6S,6aR,9R,10aR)-9-(hydroxymethyl)-6-(3-iodanylpropyl)-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 | C27H43IO3 |
| InChI | InChI=1S/C27H43IO3/c1-5-6-7-8-12-26(2,3)20-16-23(30)25-21-15-19(18-29)10-11-22(21)27(4,13-9-14-28)31-24(25)17-20/h16-17,19,21-22,29-30H,5-15,18H2,1-4H3/t19-,21-,22-,27+/m1/s1 |
| InChIKey | FGPMIFWWXRALGV-UOTIDGTBSA-N |
| Molecular Weight | 542.542 g/mol |
| SMILES | OC[C@@]1(CC[C@@]2([C@](c3c(cc(cc3O[C@]2(CCCI)C)C(CCCCCC)(C)C)O)(C1)[H])[H])[H] |
| SPLASH | splash10-0bvm-0941860000-ed432ad3c5be120f2b97 |
| Source of Spectrum | F2-41-3607-9 |
| Wiley ID | 1599834 |