Substance
- Substance Name: (2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2H)-one
- Formula: C14H16O9
- Molecular Weight: 328.27 g/mol
- Identifiers:
- inchi: InChI=1S/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12/h2,6,8,10,12-13,15-19H,3H2,1H3/t6-,8-,10+,12+,13-/m1/s1
- inchikey: YWJXCIXBAKGUKZ-HJJNZUOJSA-N
- casrn: 477-90-7
- csmiles: COC1=C(C=C2C(=C1O)C3C(C(C(C(O3)CO)O)O)OC2=O)O
- ismiles: COC1=C(C=C2C(=C1O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC2=O)O
- pubchemId: 66065
- iupacname: (2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one
- wikidataId: Q4891580
- chemspiderId: 59455
- dsstoxcmpId: DTXCID0028113
- chemblId: CHEMBL273019
- ecnumber: 803-760-9
(2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2H)-one
Systems and Datasets
- (2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2H)-one + water (Datasets: 1)
- Dataset 1 in paper 10.1016/j.jct.2016.05.003 (Dataseries: 1, Datapoints: 5, Quantity: Mole fraction)
- ethanol + (2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2H)-one (Datasets: 1)
- Dataset 2 in paper 10.1016/j.jct.2016.05.003 (Dataseries: 1, Datapoints: 5, Quantity: Mole fraction)
- propan-2-ol + (2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2H)-one (Datasets: 1)
- Dataset 3 in paper 10.1016/j.jct.2016.05.003 (Dataseries: 1, Datapoints: 5, Quantity: Mole fraction)
- 1,2-ethanediol + (2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2H)-one (Datasets: 1)
- Dataset 4 in paper 10.1016/j.jct.2016.05.003 (Dataseries: 1, Datapoints: 5, Quantity: Mole fraction)
- 1,2-propanediol + (2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2H)-one (Datasets: 1)
- Dataset 5 in paper 10.1016/j.jct.2016.05.003 (Dataseries: 1, Datapoints: 5, Quantity: Mole fraction)
- 3,6-dioxa-1-octanol + (2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2H)-one (Datasets: 1)
- Dataset 6 in paper 10.1016/j.jct.2016.05.003 (Dataseries: 1, Datapoints: 5, Quantity: Mole fraction)
- butan-1-ol + (2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2H)-one (Datasets: 1)
- Dataset 7 in paper 10.1016/j.jct.2016.05.003 (Dataseries: 1, Datapoints: 5, Quantity: Mole fraction)
- butan-2-ol + (2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2H)-one (Datasets: 1)
- Dataset 8 in paper 10.1016/j.jct.2016.05.003 (Dataseries: 1, Datapoints: 5, Quantity: Mole fraction)
- ethyl acetate + (2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2H)-one (Datasets: 1)
- Dataset 9 in paper 10.1016/j.jct.2016.05.003 (Dataseries: 1, Datapoints: 5, Quantity: Mole fraction)
- dimethyl sulfoxide + (2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2H)-one (Datasets: 1)
- Dataset 10 in paper 10.1016/j.jct.2016.05.003 (Dataseries: 1, Datapoints: 5, Quantity: Mole fraction)