Substance
- Substance Name: 2,6a,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(1H)-one
- Formula: C23H22O6
- Molecular Weight: 394.4 g/mol
- Identifiers:
- inchi: InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3
- inchikey: JUVIOZPCNVVQFO-UHFFFAOYSA-N
- casrn: 83-79-4
- csmiles: CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC
- ismiles: CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC
- pubchemId: 5102
- iupacname: 16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
- wikidataId: Q104169882
2,6a,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(1H)-one
Systems and Datasets
- 2,6a,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(1H)-one (Datasets: 2)
- Dataset 1 in paper 10.1021/acs.jced.8b01165 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of transition or fusion)
- Dataset 2 in paper 10.1021/acs.jced.8b01165 (Dataseries: 1, Datapoints: 1, Quantity: Triple point temperature)
- 2,6a,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(1H)-one + water + carbon dioxide (Datasets: 1)
- Dataset 3 in paper 10.1021/acs.jced.8b01165 (Dataseries: 1, Datapoints: 25, Quantity: Vapor pressure)