(5R,5aR)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one

CAS: 69222-20-4

Molecular Formula	`C22H22O7`
Molecular Weight	398.4 g/mol
LogP	3.1
Topological Polar Surface Area	72.5 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	4
Exact Mass	398.13657
Heavy Atoms	29
Complexity	598.0

Chemical Identifiers

CAS Number	69222-20-4
SMILES	`COC1=CC(=CC(=C1OC)OC)C2C3C(CC4=CC5=C(C=C24)OCO5)COC3=O`
InChIKey	`ZGLXUQQMLLIKAN-CFNCIARGSA-N`

📖 Product Overview

(5R,5aR)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one (CAS: 69222-20-4) is a chemical compound with molecular formula C22H22O7 and molecular weight 398.4 g/mol. Its IUPAC systematic name is (5R,5aR)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one. LogP 3.1 Topological Polar Surface Area 72.5 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 7 Rotatable Bonds 4 Exact Mass 398.13657 Heavy Atoms 29 Complexity 598.0 InChI Key: ZGLXUQQMLLIKAN-CFNCIARGSA-N. SMILES: COC1=CC(=CC(=C1OC)OC)C2C3C(CC4=CC5=C(C=C24)OCO5)COC3=O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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📚 Academic Support

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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for (5R,5aR)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one.

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