Account Becocalcidiol
- Catalog No. :
- ACDFXB946
- CAS No. :
- 524067-21-8
- Molecular Formula :
- C23H36O2
- Molecular Weight :
- 344.54
IUPAC Name:(1R,3R,E)-4-(2-((1R,3aS,7aR,E)-1-((S)-sec-butyl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-2-methylenecyclohexane-1,3-diol
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Product Information
| Product Name | Becocalcidiol |
|---|---|
| IUPAC Name | (1R,3R,E)-4-(2-((1R,3aS,7aR,E)-1-((S)-sec-butyl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-2-methylenecyclohexane-1,3-diol |
| Molecular Formula | C23H36O2 |
| Molecular Weight | 344.54 |
| SMILES | C=C1[C@H](O)CC/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@@H](C)CC)CC[C@@H]23)[C@H]1O |
| InChI Key | LIPXYRRLVFIGDM-GKBMBEDOSA-N |
| Synonym | Becocalcidiol | AKOS040750718 | Becocalcidiol [USAN:INN] | DP-006 | (1R,3R)-2-Methylene-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(1S)-1-methylpropyl]octahydro-4H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol | CHEMBL2104955 | N75R59YD0F | Q27095556 | BECOCA |
| CAS No. | 524067-21-8 |
| PubChem CID | 5289547 |
Synthetic Route by SureRoute
2. ACDFXB946 Molecular Building Block Synthetic Route
Seocalcitol
(1S,3S,Z)-5-((E)-2-((1R,3AS,7aR)-7a-Methyl-1-((R)-6-methylheptan-2-yl)hexahydro-1H-inden-4(2H)-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol
(1R,3S,E)-5-(2-((1R,3aS,7aR,E)-7a-Methyl-1-((R)-6-methylheptan-2-yl)octahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol