Account Mc1046
- Catalog No. :
- ACYUEX092
- CAS No. :
- 126860-83-1
- Molecular Formula :
- C27H38O3
- Molecular Weight :
- 410.60
IUPAC Name:(4R,E)-1-cyclopropyl-4-((1R,7aR,E)-4-((Z)-2-((3S,5R)-3,5-dihydroxy-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)pent-2-en-1-one
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Product Information
| Product Name | Mc1046 |
|---|---|
| IUPAC Name | (4R,E)-1-cyclopropyl-4-((1R,7aR,E)-4-((Z)-2-((3S,5R)-3,5-dihydroxy-2-methylenecyclohexylidene)ethylidene)-7a-methyloctahydro-1H-inden-1-yl)pent-2-en-1-one |
| MDL No. | MFCD00872035 |
| Molecular Formula | C27H38O3 |
| Molecular Weight | 410.60 |
| SMILES | C=C1/C(=C\C=C2/CCC[C@@]3(C)C2CC[C@@H]3[C@H](C)/C=C/C(=O)C2CC2)C[C@@H](O)C[C@@H]1O |
| InChI Key | KKDBQSPKXAUHPH-NRCFQFCQSA-N |
| Synonym | 9,10-SECOCHOLA-5,7,10(19),22-TETRAEN-24-ONE, 24-CYCLOPROPYL-1,3-DIHYDROXY-, (1.ALPHA.,3.BETA.,5Z,7E,22E)- | UNII-G70BS4HF9Z | Calcipotriol, anhydrous impurity A [EP] | (5Z,7E,22E)-24-Cyclopropyl-1alpha,3beta-dihydroxy-9,10-secochola-5,7,10(19),22-tetraen- |
| CAS No. | 126860-83-1 |
| PubChem CID | 9547342 |
Synthetic Route by SureRoute
2. ACYUEX092 Molecular Building Block Synthetic Route
(1R,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
(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