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53495-21-9,MFCD31619288
Catalog No.:AA01ENZI

53495-21-9 | (3β,20E)-24-Norchola-5,20(22)-diene-3,23-diol

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  • Technical Information
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Technical Information
Catalog Number:
AA01ENZI
Chemical Name:
(3β,20E)-24-Norchola-5,20(22)-diene-3,23-diol
CAS Number:
53495-21-9
Molecular Formula:
C23H36O2
Molecular Weight:
344.5307
MDL Number:
MFCD31619288
SMILES:
OC/C=C(/[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)\C
Properties
Computed Properties
 
Complexity:
591  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
1  
XLogP3:
5.2  

Literature

Title: Li H, et al. Catalyst-Directed Diastereoselective Isomerization of Allylic Alcohols for the Stereoselective Construction of C(20) in Steroid Side Chains: Scope and Topological Diversification. J Am Chem Soc. 2015 Aug 26;137(33):10720-7.

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SDS
Tags:53495-21-9 Molecular Formula|53495-21-9 MDL|53495-21-9 SMILES|53495-21-9 (3β,20E)-24-Norchola-5,20(22)-diene-3,23-diol