6H-2-Benzopyran-6-one, 5-chloro-3-((1E,3Z,5S)-3,5-dimethyl-1,3-heptadienyl)-7,8-dihydro-7-hydroxy-7-methyl-8-(2-oxopropyl)-, (7R,8R)-

Base Information

• Chemical Name: 6H-2-Benzopyran-6-one, 5-chloro-3-((1E,3Z,5S)-3,5-dimethyl-1,3-heptadienyl)-7,8-dihydro-7-hydroxy-7-methyl-8-(2-oxopropyl)-, (7R,8R)-
• CAS No.: 154037-53-3
• Molecular Formula: C22H27 Cl O4
• Mol file: 154037-53-3.mol

Synonyms:isochromophilone II;isochromophilone IIa;isochromophilone IIb

Chemical Property of 6H-2-Benzopyran-6-one, 5-chloro-3-((1E,3Z,5S)-3,5-dimethyl-1,3-heptadienyl)-7,8-dihydro-7-hydroxy-7-methyl-8-(2-oxopropyl)-, (7R,8R)-

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 12
• Exact Mass: 780.3195741
• Heavy Atom Count: 54
• Complexity: 797

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C=C(C)C=CC1=CC2=C(C(=O)C(C(C2=CO1)CC(=O)C)(C)O)Cl.CCC(C)C=C(C)C=CC1=CC2=C(C(=O)C(C(C2=CO1)CC(=O)C)(C)O)Cl
• Isomeric SMILES: CC[C@H](C)/C=C(\C)/C=C/C1=CC2=C(C(=O)[C@]([C@@H](C2=CO1)CC(=O)C)(C)O)Cl.CC[C@H](C)/C=C(/C)\C=C\C1=CC2=C(C(=O)[C@]([C@@H](C2=CO1)CC(=O)C)(C)O)Cl

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