(4abeta,8aalpha)-Octahydro-2beta,3alpha-dimethyl-2,3-dimethoxy-6-hydroxy-8-oxo-1,4-benzodioxin-6alpha-carboxylic acid methyl ester

Base Information

• Chemical Name: (4abeta,8aalpha)-Octahydro-2beta,3alpha-dimethyl-2,3-dimethoxy-6-hydroxy-8-oxo-1,4-benzodioxin-6alpha-carboxylic acid methyl ester
• CAS No.: 183474-88-6
• Molecular Formula: C₁₄H₂₂O₈
• Molecular Weight: 318.324
• DSSTox Substance ID: DTXSID701109280
• Nikkaji Number: J1.425.053K
• Mol file: 183474-88-6.mol

Synonyms:DTXSID701109280;(4abeta,8aalpha)-Octahydro-2beta,3alpha-dimethyl-2,3-dimethoxy-6-hydroxy-8-oxo-1,4-benzodioxin-6alpha-carboxylic acid methyl ester;183474-88-6;Methyl (2S,3S,4aR,6R,8aS)-octahydro-6-hydroxy-2,3-dimethoxy-2,3-dimethyl-8-oxo-1,4-benzodioxin-6-carboxylate

Chemical Property of (4abeta,8aalpha)-Octahydro-2beta,3alpha-dimethyl-2,3-dimethoxy-6-hydroxy-8-oxo-1,4-benzodioxin-6alpha-carboxylic acid methyl ester

Chemical Property:

• XLogP3: -0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 318.13146766
• Heavy Atom Count: 22
• Complexity: 480

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(C(OC2C(O1)CC(CC2=O)(C(=O)OC)O)(C)OC)OC
• Isomeric SMILES: C[C@]1([C@@](O[C@H]2[C@H](O1)C[C@@](CC2=O)(C(=O)OC)O)(C)OC)OC