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81131-71-7,MFCD06410952
Catalog No.:AA01X4LI

81131-71-7 | Butanoic acid, 2-methyl-, 1,2,3,7,8,8a-hexahydro-3-hydroxy-7-methyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester

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Technical Information
Catalog Number:
AA01X4LI
Chemical Name:
Butanoic acid, 2-methyl-, 1,2,3,7,8,8a-hexahydro-3-hydroxy-7-methyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester
CAS Number:
81131-71-7
Molecular Formula:
C23H34O6
Molecular Weight:
406.5125
MDL Number:
MFCD06410952
SMILES:
CCC(C(=O)OC1CC(O)C=C2C1C(CCC1CC(O)CC(=O)O1)C(C=C2)C)C
Properties
Computed Properties
 
Complexity:
668  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
7  
XLogP3:
2.4  

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SDS
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Tags:81131-71-7 Molecular Formula|81131-71-7 MDL|81131-71-7 SMILES|81131-71-7 Butanoic acid, 2-methyl-, 1,2,3,7,8,8a-hexahydro-3-hydroxy-7-methyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester