Gmelinol structure

Gmelinol

(3R,3aS,6R,6aR)-3,6-bis(3,4-dimethoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol

Also Known As: Gmelinol|(+)-Gmelinol|(+) isognerinol|J1.192.824B|(1R,3aS,4R,6aR)-1,4-Bis(3,4-dimethoxyphenyl)dihydro-1H,3H-furo(3,4-C)furan-3a(4H)-ol|(1R,3aS,4R,6aR)-1,4-bis(3,4-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-3a-ol|3,6-bis(3,4-dimethoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4|1H,3H-Furo(3,4-C)furan-3a(4H)-ol, 1,4-bis(3,4-dimethoxyphenyl)dihydro-, (1R-(1alpha,3abeta,4beta,6abeta))-|1H,3H-Furo(3,4-C)furan-3aalpha(4H)-ol, 1beta,4alpha-bis(3,4-dimethoxyphenyl)-6,6aalpha-dihydro-|(1S,2R,5R,6R)-2,6-Bis(3,4-dimethoxyphenyl)-3,7-dioxabicyclo[3.3.0]octane-1-ol|3,6-bis(3,4-dimethoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo(3,4-c)furan-3a-ol|3,6-bis(3,4-dimethoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol|(1R,3aS,4R,6aR)-1alpha,4beta-Bis(3,4-dimethoxyphenyl)-6,6abeta-dihydro-1H,3H-furo[3,4-c]furan-3abeta(4H)-ol|(3aalpha)-6aalpha-Hydroxy-3beta,6alpha-bis(3,4-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan|(3R,3aS,6R,6aR)-3,6-bis(3,4-dimethoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol|1H,3H-FURO(3,4-C)FURAN-3A(4H)-OL, 1,4-BIS(3,4-DIMETHOXYPHENYL)DIHYDRO-, (1R-(1.ALPHA.,3A.BETA.,4.BETA.,6A.BETA.))-|1H,3H-FURO(3,4-C)FURAN-3A.ALPHA.(4H)-OL, 1.BETA.,4.ALPHA.-BIS(3,4-DIMETHOXYPHENYL)-6,6A.ALPHA.-DIHYDRO-

CAS: 469-28-3
Molecular Formula C22H26O7
Molecular Weight 402.16785 g/mol
LogP 2.9111
Topological Polar Surface Area 75.61 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
Rotatable Bonds 6
Exact Mass 402.16785
Monoisotopic Mass 402.16785
Heavy Atoms 29
Complexity 883.45966

Chemical Identifiers

CAS Number 469-28-3
SMILES COC1=C(C=C(C=C1)[C@H]2[C@H]3CO[C@@H]([C@]3(CO2)O)C4=CC(=C(C=C4)OC)OC)OC

Product Overview

Gmelinol (CAS 469-28-3), with molecular formula C22H26O7 and molecular weight 402.16785 g/mol. IUPAC: (3R,3aS,6R,6aR)-3,6-bis(3,4-dimethoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol.

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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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