(4aR*,5R*,6R*,7S*)-6,7-Dihydroxy-4a,5,6,7-tetrahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-2(4H)-one

Base Information

• Chemical Name: (4aR*,5R*,6R*,7S*)-6,7-Dihydroxy-4a,5,6,7-tetrahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-2(4H)-one
• CAS No.: 179862-52-3
• Molecular Formula: C₁₅H₁₈O₄
• Molecular Weight: 262.306
• DSSTox Substance ID: DTXSID201043556
• Nikkaji Number: J820.731C
• Wikidata: Q104914484
• Metabolomics Workbench ID: 99530
• Mol file: 179862-52-3.mol

Synonyms:PF 1092C;PF-1092C;PF1092C

Chemical Property of (4aR*,5R*,6R*,7S*)-6,7-Dihydroxy-4a,5,6,7-tetrahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-2(4H)-one

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 262.12050905
• Heavy Atom Count: 19
• Complexity: 555

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C=C2C1(CC3=C(C(=O)OC3=C2)C)C)O)O
• Isomeric SMILES: C[C@H]1[C@H]([C@H](C=C2[C@@]1(CC3=C(C(=O)OC3=C2)C)C)O)O

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