Account (1S)-Calcitriol
- Catalog No. :
- ACBIZN201
- CAS No. :
- 61476-45-7
- Molecular Formula :
- C27H44O3
- Molecular Weight :
- 416.65
IUPAC Name:(1S,3S,Z)-5-(2-((1R,3aS,7aR,E)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol
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Product Information
| Product Name | (1S)-Calcitriol |
|---|---|
| IUPAC Name | (1S,3S,Z)-5-(2-((1R,3aS,7aR,E)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol |
| MDL No. | MFCD28963706 |
| Molecular Formula | C27H44O3 |
| Molecular Weight | 416.65 |
| SMILES | C[C@]12[C@]([H])(/C(CCC2)=C/C=C3C([C@@H](O)C[C@@H](O)C\3)=C)CC[C@@]1([C@@H](CCCC(O)(C)C)C)[H] |
| InChI Key | GMRQFYUYWCNGIN-GNVXBELXSA-N |
| Synonym | 1,3-Cyclohexanediol, 4-methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R)-5-hydroxy-1,5-dimethylhexyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1S,3S,5Z)-;1-alpha,25-Dihydroxy-3-epi Vitamin D3 |
| CAS No. | 61476-45-7 |
| PubChem CID | 5283736 |
Synthetic Route by SureRoute
2. ACBIZN201 Molecular Building Block Synthetic Route
(1R,3S,Z)-5-(2-((1R,3aS,7aR,E)-1-((R)-7-Hydroxy-7-methyloctan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol
(1R,3S,E)-5-(2-((1R,3aS,7aR,E)-1-((R)-6-Hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol
(1R,3S,Z)-5-(2-((1R,3aS,7aR,E)-1-((R)-6-Hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol