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874758-58-4,MFCD28385838
Catalog No.:AA00GU5L

874758-58-4 | Ecteinascidin-Analog-1

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  • Technical Information
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Technical Information
Catalog Number:
AA00GU5L
Chemical Name:
Ecteinascidin-Analog-1
CAS Number:
874758-58-4
Molecular Formula:
C31H44N2O9
Molecular Weight:
588.6891
MDL Number:
MFCD28385838
SMILES:
C=CCOC(=O)N1[C@H](COC(=O)C)Cc2c([C@@H]1[C@@H]1COC(N1C(=O)OC(C)(C)C)(C)C)c(OCC=C)c(c(c2)C)OC
Properties
Computed Properties
 
Complexity:
993  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Heavy Atom Count:
42  
Hydrogen Bond Acceptor Count:
9  
Rotatable Bond Count:
13  
XLogP3:
4.5  

Literature

Title: Chen J, et al. Asymmetric total syntheses of ecteinascidin 597 and ecteinascidin 583. Angew Chem Int Ed Engl. 2006 Dec 4;45(47):8028-32.

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Tags:874758-58-4 Molecular Formula|874758-58-4 MDL|874758-58-4 SMILES|874758-58-4 Ecteinascidin-Analog-1