| SpectraBase Spectrum ID |
28jXz7Kuge1 |
| Name |
1,3-Benzenediol, 4-iodo-2-[3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-, (1R-trans)- |
| Alternate Name(s) |
4'-Iodocannabidiol
4-iodo-2-[(1R,6R)-6-isopropenyl-3-methyl-2-cyclohexen-1-yl]-5-pentyl-1,3-benzenediol |
| CAS Registry Number |
112639-14-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H29IO2 |
| InChI |
InChI=1S/C21H29IO2/c1-5-6-7-8-15-12-18(23)19(21(24)20(15)22)17-11-14(4)9-10-16(17)13(2)3/h11-12,16-17,23-24H,2,5-10H2,1,3-4H3/t16-,17+/m0/s1 |
| InChIKey |
PVYLXJWPOKVORX-DLBZAZTESA-N |
| Molecular Weight |
440.365 g/mol |
| SMILES |
Oc1c(c(c(c(c1)CCCCC)I)O)[C@]1([C@](C(=C)C)(CCC(=C1)C)[H])[H] |
| SPLASH |
splash10-0a4i-0009100000-903cbcb3f8617b06e0c9 |
| Source of Spectrum |
KC-1987-1426-34 |
| Wiley ID |
1384591 |
![1,3-Benzenediol, 4-iodo-2-[3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-, (1R-trans)-](/api/spectrum/28jXz7Kuge1/structure.png?h=300&w=458 "1,3-Benzenediol, 4-iodo-2-[3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-, (1R-trans)-")
