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144860-68-4,MFCD08061898
Catalog No.:AA001K5Q

144860-68-4 | Butanedioic acid, 1-[(1S,2E,4E)-1-[(2R,5S,7R,8S)-2-butyl-7-[(2E,4E,6S,7S,8E)-9-carboxy-6-hydroxy-3,7-dimethyl-2,4,8-nonatrien-1-yl]-8-methyl-1,6-dioxaspiro[4.5]dec-2-yl]-5-carboxy-4-methyl-2,4-pentadien-1-yl] ester

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1mg
≥98%
in stock  
$1,429.00   $1,000.00
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  • Technical Information
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Technical Information
Catalog Number:
AA001K5Q
Chemical Name:
Butanedioic acid, 1-[(1S,2E,4E)-1-[(2R,5S,7R,8S)-2-butyl-7-[(2E,4E,6S,7S,8E)-9-carboxy-6-hydroxy-3,7-dimethyl-2,4,8-nonatrien-1-yl]-8-methyl-1,6-dioxaspiro[4.5]dec-2-yl]-5-carboxy-4-methyl-2,4-pentadien-1-yl] ester
CAS Number:
144860-68-4
Molecular Formula:
C36H51O11-
Molecular Weight:
659.7835
MDL Number:
MFCD08061898
SMILES:
CCCC[C@@]1(CC[C@@]2(O1)CC[C@@H]([C@H](O2)C/C=C(/C=C/[C@@H]([C@H](/C=C/C(=O)O)C)O)\C)C)[C@@H](OC(=O)CCC(=O)[O-])/C=C/C(=C/C(=O)O)/C
Properties
Computed Properties
 
Complexity:
1250  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
5  
Heavy Atom Count:
47  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
4  
Rotatable Bond Count:
19  
XLogP3:
5.9  

Literature

Title: Total synthesis of the epidermal growth factor inhibitor (-)-reveromycin B.

Journal: The Journal of organic chemistry 20010406

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Tags:144860-68-4 Molecular Formula|144860-68-4 MDL|144860-68-4 SMILES|144860-68-4 Butanedioic acid, 1-[(1S,2E,4E)-1-[(2R,5S,7R,8S)-2-butyl-7-[(2E,4E,6S,7S,8E)-9-carboxy-6-hydroxy-3,7-dimethyl-2,4,8-nonatrien-1-yl]-8-methyl-1,6-dioxaspiro[4.5]dec-2-yl]-5-carboxy-4-methyl-2,4-pentadien-1-yl] ester