Account MC 976
- Catalog No. :
- ACFVSJ745
- CAS No. :
- 129831-99-8
- Molecular Formula :
- C27H42O3
- Molecular Weight :
- 414.63
IUPAC Name:(1R,3S,Z)-5-(2-((1R,7aR,E)-1-((2R)-5-cyclopropyl-5-hydroxypentan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol
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Product Information
| Product Name | MC 976 |
|---|---|
| IUPAC Name | (1R,3S,Z)-5-(2-((1R,7aR,E)-1-((2R)-5-cyclopropyl-5-hydroxypentan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol |
| Molecular Formula | C27H42O3 |
| Molecular Weight | 414.63 |
| SMILES | O[C@H]1C[C@H](O)C(/C(C1)=C\C=C2C3CC[C@H]([C@@H](CCC(C4CC4)O)C)[C@@]3(C)CCC\2)=C |
| InChI Key | NQHWMFGCRBTMOO-KJLYFKKZSA-N |
| Synonym | MC 976;(1alpha,3beta,5Z,7E)-24-Cyclopropyl-9,10-secochola-5,7,10(19)-triene-1,3,24-triol;Calcipotriol Impurity 3;Calcipotriol Impurity 3 (Mixture of Diastereomers);Calcipotriol Impurity 12;9,10-Secochola-5,7,10(19)-triene-1,3,24-triol, 24-cyclopropyl-, (1α,3β,5Z,7E)- (9CI);Bifeprunox Impurity 36;Calcipotriol Impurity 57 |
| CAS No. | 129831-99-8 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Synthetic Route by SureRoute
2. ACFVSJ745 Molecular Building Block Synthetic Route
(24S)-mc 976
(24R)-MC 976
(1R,3S,Z)-5-(2-((1R,3aS,7aR,E)-1-((2R,5R)-5-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol