(3R,3aR,4S,4aR,8aR,9aR)-3-Methyl-1,7-dioxododecahydronaphtho[2,3-c]furan-4-carboxylic acid

Base Information

• Chemical Name: (3R,3aR,4S,4aR,8aR,9aR)-3-Methyl-1,7-dioxododecahydronaphtho[2,3-c]furan-4-carboxylic acid
• CAS No.: 900161-05-9
• Molecular Formula: C14H18O5
• Molecular Weight: 266.29
• Mol file: 900161-05-9.mol

Synonyms:(3R,3aR,4S,4aR,8aR,9aR)-3-Methyl-1,7-dioxododecahydronaphtho[2,3-c]furan-4-carboxylic acid;900161-05-9;SCHEMBL753315;(3R,3aR,4S,4aR,8aR,9aR)-3-methyl-1,7-dioxo-dodecahydronaphtho[2,3-c]furan-4-carboxylic acid;AMY32562;F81686;(3R,3aR,4S,4aR,8aR,9aR)-Dodecahydro-3-methyl-1,7-dioxo-naphtho[2,3-c]furan-4-carboxylic acid

Chemical Property of (3R,3aR,4S,4aR,8aR,9aR)-3-Methyl-1,7-dioxododecahydronaphtho[2,3-c]furan-4-carboxylic acid

Chemical Property:

• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 266.11542367
• Heavy Atom Count: 19
• Complexity: 443

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2C(CC3CC(=O)CCC3C2C(=O)O)C(=O)O1
• Isomeric SMILES: C[C@@H]1[C@@H]2[C@@H](C[C@@H]3CC(=O)CC[C@H]3[C@@H]2C(=O)O)C(=O)O1

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