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858345-57-0
Catalog No.:AA01EPNP

858345-57-0 | (2S,4aR,6aR,7R,9S,10aS,10bR)-9-[(aminocarbonyl)oxy]-2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-2H-naphtho[2,1-c]pyran-7-carboxylicacid,methylester

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1mg
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  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA01EPNP
Chemical Name:
(2S,4aR,6aR,7R,9S,10aS,10bR)-9-[(aminocarbonyl)oxy]-2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-2H-naphtho[2,1-c]pyran-7-carboxylicacid,methylester
CAS Number:
858345-57-0
Molecular Formula:
C22H27NO8
Molecular Weight:
433.4517
SMILES:
COC(=O)[C@@H]1C[C@H](OC(=O)N)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1
Properties
Computed Properties
 
Complexity:
798  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
5  
XLogP3:
1.9  

Literature

Title: Synthesis and in vitro pharmacological evaluation of salvinorin A analogues modified at C(2).

Journal: Bioorganic & medicinal chemistry letters 20050602

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SDS
Tags:858345-57-0 Molecular Formula|858345-57-0 MDL|858345-57-0 SMILES|858345-57-0 (2S,4aR,6aR,7R,9S,10aS,10bR)-9-[(aminocarbonyl)oxy]-2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-2H-naphtho[2,1-c]pyran-7-carboxylicacid,methylester