| SpectraBase Compound ID | HTmGmOUT2ig |
|---|---|
| InChI | InChI=1S/C27H44O3/c1-6-8-9-10-14-26(3,4)20-16-23(29)25-21-15-19(18-28)11-12-22(21)27(5,13-7-2)30-24(25)17-20/h16-17,19,21-22,28-29H,6-15,18H2,1-5H3/t19-,21-,22-,27+/m1/s1 |
| InChIKey | URRORMMJTPTXJI-UOTIDGTBSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C27H44O3 |
| Exact Mass | 416.329045 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3ZgV75Xnu6T |
|---|---|
| Name | 12.beta.-Ethyl-9-nor-9-.beta.-(hydroxymethyl)hexahydrocannabinol |
| Alternate Name(s) | (6S,6aR,9R,10aR)-9-(hydroxymethyl)-6-methyl-3-(2-methyloctan-2-yl)-6-propyl-6a,7,8,9,10,10a-hexahydrobenzo[c][1]benzopyran-1-ol (6S,6aR,9R,10aR)-3-(1,1-dimethylheptyl)-9-(hydroxymethyl)-6-methyl-6-propyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol (6S,6aR,9R,10aR)-9-(hydroxymethyl)-6-methyl-3-(2-methyloctan-2-yl)-6-propyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O3 |
| InChI | InChI=1S/C27H44O3/c1-6-8-9-10-14-26(3,4)20-16-23(29)25-21-15-19(18-28)11-12-22(21)27(5,13-7-2)30-24(25)17-20/h16-17,19,21-22,28-29H,6-15,18H2,1-5H3/t19-,21-,22-,27+/m1/s1 |
| InChIKey | URRORMMJTPTXJI-UOTIDGTBSA-N |
| Molecular Weight | 416.646 g/mol |
| SMILES | OC[C@@]1(CC[C@@]2([C@](c3c(cc(cc3O[C@]2(CCC)C)C(CCCCCC)(C)C)O)(C1)[H])[H])[H] |
| SPLASH | splash10-008a-7149300000-5f76d9a786e2a0bc8994 |
| Source of Spectrum | F2-41-3607-12 |
| Wiley ID | 1599832 |