CAS 112827-99-3 appears in our catalog under these names: Calcipotriol EP Impurity D, (24R)-Calcipotriene, 24R-Calcipotriol, 95.64%. Offered by: Chemat Brand, TRC, Biosynth, MedChemExpress. Available pack sizes: on request, 0,5mg, 5mg, 1mg, 2mg, 10mg, 5 mg, 1 mg.
Trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol (CAS 112827-99-3) is a chemical compound with the molecular formula C27H40O3 and a molecular weight of 412.6 g/mol. IUPAC name: trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol. InChIKey: LWQQLNNNIPYSNX-CIJZWTHJSA-N.
| Molecular formula | C27H40O3 |
|---|---|
| Molecular weight | 412.6 g/mol |
| IUPAC name | trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol |
| InChIKey | LWQQLNNNIPYSNX-CIJZWTHJSA-N |
| SMILES | C[C@H](/C=C/[C@@H](C1CC1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C |
Computed by PubChem (NCBI)