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469-06-7,MFCD21396232
Catalog No.:AA00DF6O

469-06-7 | Isotachysterol

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Technical Information
Catalog Number:
AA00DF6O
Chemical Name:
Isotachysterol
CAS Number:
469-06-7
Molecular Formula:
C28H44O
Molecular Weight:
396.6484
MDL Number:
MFCD21396232
SMILES:
O[C@H]1CCC(=C(C1)/C=C/C1=C2CC[C@@H]([C@]2(CCC1)C)[C@@H](/C=C/[C@@H](C(C)C)C)C)C
Properties
Computed Properties
 
Complexity:
704  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
2  
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
6  
XLogP3:
6.9  

Literature
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SDS
Tags:469-06-7 Molecular Formula|469-06-7 MDL|469-06-7 SMILES|469-06-7 Isotachysterol