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Home Other Building Blocks 112828-09-8
112828-09-8,MFCD25372037
Catalog No.:AA008T6E

112828-09-8 | (24R)-mc 976

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  • Technical Information
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Technical Information
Catalog Number:
AA008T6E
Chemical Name:
(24R)-mc 976
CAS Number:
112828-09-8
Molecular Formula:
C27H42O3
Molecular Weight:
414.6206
MDL Number:
MFCD25372037
SMILES:
O[C@H]1C[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](CC[C@H](C2CC2)O)C)C)/C1
Properties
Computed Properties
 
Complexity:
703  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
2  
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
6  
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:112828-09-8 Molecular Formula|112828-09-8 MDL|112828-09-8 SMILES|112828-09-8 (24R)-mc 976