[1-(1-acetyloxyethyl)-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] (E)-3-methylpent-2-enoate

Base Information

• Chemical Name: [1-(1-acetyloxyethyl)-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] (E)-3-methylpent-2-enoate
• CAS No.: 104012-37-5
• Molecular Formula: C23H34 O5
• Molecular Weight: 390.51
• Hs Code.: 29389090
• Mol file: 104012-37-5.mol

Synonyms:(7R,14R)-14-acetoxy-7-((2'E)-3'-methylpent-2'-enoyloxy)-oplopanone;14-acetoxy-7-(3'-ethylcrotonoyloxy)-notonipetranone;14-acetoxy-7B-(3'-ethylcrotonoyloxy)-notonipetranone;L 652469;L-652,469;oplopanone, (7R,14R)-14-acetoxy-7-((2E)-3'-methylpent-2'-enoyloxy)-;tussilagone

Chemical Property of [1-(1-acetyloxyethyl)-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] (E)-3-methylpent-2-enoate

Chemical Property:

• Vapor Pressure: 4.7E-09mmHg at 25°C
• Boiling Point: 471.3°Cat760mmHg
• Flash Point: 200.7°C
• PSA: 69.67000
• Density: 1.07g/cm³
• LogP: 4.25960
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 390.24062418
• Heavy Atom Count: 28
• Complexity: 675

Purity/Quality:

99% ^*data from raw suppliers

Tussilagone ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=CC(=O)OC1CC(C2C(C1=C)CC(=O)C2C(C)OC(=O)C)C(C)C)C
• Isomeric SMILES: CC/C(=C/C(=O)OC1CC(C2C(C1=C)CC(=O)C2C(C)OC(=O)C)C(C)C)/C