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Home Other Building Blocks 22350-41-0
22350-41-0,MFCD12026287
Catalog No.:AA00BFE8

22350-41-0 | (1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$100.00   $70.00
- +
5mg
≥98%
in stock  
$440.00   $308.00
- +
10mg
≥98%
in stock  
$729.00   $510.00
- +
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Technical Information
Catalog Number:
AA00BFE8
Chemical Name:
(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
CAS Number:
22350-41-0
Molecular Formula:
C27H44O
Molecular Weight:
384.6377
MDL Number:
MFCD12026287
SMILES:
CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC/C/2=C\C=C\1/C[C@@H](O)CCC1=C)C)C
UN Number:
2811
Properties
Computed Properties
 
Complexity:
610  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
2  
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
6  
XLogP3:
7.9  

Literature

Title: T C Chen, et al. An evaluation of the biologic activity and vitamin D receptor binding affinity of the photoisomers of vitamin D3 and previtamin D3. J Nutr Biochem. 2000 May;11(5):267-72.

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SDS
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Tags:22350-41-0 Molecular Formula|22350-41-0 MDL|22350-41-0 SMILES|22350-41-0 (1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol