(2R,3S,3aS,7S,7aR)-2-(1,3-benzodioxol-5-yl)-3a,4-dimethoxy-3-methyl-7-prop-2-enyl-2,3,7,7a-tetrahydro-1-benzofuran-6-one

Base Information

• Chemical Name: (2R,3S,3aS,7S,7aR)-2-(1,3-benzodioxol-5-yl)-3a,4-dimethoxy-3-methyl-7-prop-2-enyl-2,3,7,7a-tetrahydro-1-benzofuran-6-one
• CAS No.: 116424-69-2
• Molecular Formula: C21H24 O6
• Molecular Weight: 372.4117
• Nikkaji Number: J2.643.979E
• Mol file: 116424-69-2.mol

Synonyms:HY-N3891;AKOS040761726;CS-0024412

Chemical Property of (2R,3S,3aS,7S,7aR)-2-(1,3-benzodioxol-5-yl)-3a,4-dimethoxy-3-methyl-7-prop-2-enyl-2,3,7,7a-tetrahydro-1-benzofuran-6-one

Chemical Property:

• Vapor Pressure: 1.94E-10mmHg at 25°C
• Boiling Point: 508°Cat760mmHg
• Flash Point: 222°C
• PSA: 63.22000
• Density: 1.25g/cm³
• LogP: 3.18180
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 372.15728848
• Heavy Atom Count: 27
• Complexity: 630

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

FargesoneA 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(OC2C1(C(=CC(=O)C2CC=C)OC)OC)C3=CC4=C(C=C3)OCO4
• Isomeric SMILES: C[C@H]1[C@@H](O[C@H]2[C@@]1(C(=CC(=O)[C@H]2CC=C)OC)OC)C3=CC4=C(C=C3)OCO4