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Home Other Building Blocks 129831-99-8
129831-99-8,MFCD25372024
Catalog No.:AA009CA7

129831-99-8 | MC 976

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  • Technical Information
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Technical Information
Catalog Number:
AA009CA7
Chemical Name:
MC 976
CAS Number:
129831-99-8
Molecular Formula:
C27H42O3
Molecular Weight:
414.6206
MDL Number:
MFCD25372024
SMILES:
OC1CC(O)C(=C)C(=CC=C2CCCC3(C2CCC3C(CCC(C2CC2)O)C)C)C1
Properties
Computed Properties
 
Complexity:
703  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
2  
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
2  
XLogP3:
4.7  

Literature

Title: Strugnell S, et al. Metabolism of a cyclopropane ring-containing analog of 1α-hydroxyvitamin D3 in a hepatocyte cell model. Identification of 24-oxidized metabolites. Biochemical Pharmacology (1990), 40(2), 333-341.

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Tags:129831-99-8 Molecular Formula|129831-99-8 MDL|129831-99-8 SMILES|129831-99-8 MC 976