Substance
- Substance Name: betulin
- Formula: C30H50O2
- Molecular Weight: 442.7 g/mol
- Identifiers:
- casrn: 473-98-3
- pubchemId: 72326
- iupacname: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
- inchi: InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1
- inchikey: FVWJYYTZTCVBKE-ROUWMTJPSA-N
- csmiles: CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO
- ismiles: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)CO
- wikidataId: Q419726
- chemspiderId: 65272
- chemblId: CHEMBL23236
- ecnumber: 207-475-5
betulin
Systems and Datasets
- methanol + betulin (Datasets: 2)
- Dataset 1 in paper 10.1021/je700069g (Dataseries: 1, Datapoints: 4, Quantity: Mole fraction)
- Dataset 7 in paper 10.1016/j.fluid.2008.02.013 (Dataseries: 1, Datapoints: 3, Quantity: Molality)
- 1-propanol + betulin (Datasets: 1)
- Dataset 3 in paper 10.1021/je700069g (Dataseries: 1, Datapoints: 4, Quantity: Mole fraction)
- 1-butanol + betulin (Datasets: 1)
- Dataset 4 in paper 10.1021/je700069g (Dataseries: 1, Datapoints: 4, Quantity: Mole fraction)
- 1-pentanol + betulin (Datasets: 2)
- Dataset 5 in paper 10.1021/je700069g (Dataseries: 1, Datapoints: 4, Quantity: Mole fraction)
- Dataset 19 in paper 10.1016/j.jct.2016.02.006 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- 1-hexanol + betulin (Datasets: 1)
- Dataset 6 in paper 10.1021/je700069g (Dataseries: 1, Datapoints: 4, Quantity: Mole fraction)
- methyl methanoate + betulin (Datasets: 1)
- Dataset 7 in paper 10.1021/je700069g (Dataseries: 1, Datapoints: 4, Quantity: Mole fraction)
- ethyl methanoate + betulin (Datasets: 1)
- Dataset 8 in paper 10.1021/je700069g (Dataseries: 1, Datapoints: 4, Quantity: Mole fraction)
- methyl ethanoate + betulin (Datasets: 1)
- Dataset 9 in paper 10.1021/je700069g (Dataseries: 1, Datapoints: 4, Quantity: Mole fraction)
- ethyl ethanoate + betulin (Datasets: 1)
- Dataset 10 in paper 10.1021/je700069g (Dataseries: 1, Datapoints: 4, Quantity: Mole fraction)
- chloroform + betulin (Datasets: 2)
- Dataset 11 in paper 10.1021/je700069g (Dataseries: 1, Datapoints: 4, Quantity: Mole fraction)
- Dataset 8 in paper 10.1016/j.fluid.2008.02.013 (Dataseries: 1, Datapoints: 3, Quantity: Molality)
- dichloromethane + betulin (Datasets: 1)
- Dataset 12 in paper 10.1021/je700069g (Dataseries: 1, Datapoints: 4, Quantity: Mole fraction)
- cyclohexane + betulin (Datasets: 1)
- Dataset 13 in paper 10.1021/je700069g (Dataseries: 1, Datapoints: 4, Quantity: Mole fraction)
- ethanol + betulin (Datasets: 2)
- Dataset 2 in paper 10.1021/je700069g (Dataseries: 1, Datapoints: 4, Quantity: Mole fraction)
- Dataset 2 in paper 10.1021/je7004177 (Dataseries: 1, Datapoints: 5, Quantity: Mole fraction)
- acetone + betulin (Datasets: 2)
- Dataset 14 in paper 10.1021/je700069g (Dataseries: 1, Datapoints: 4, Quantity: Mole fraction)
- Dataset 1 in paper 10.1021/je7004177 (Dataseries: 1, Datapoints: 5, Quantity: Mole fraction)
- acetone + betulin + water (Datasets: 1)
- Dataset 3 in paper 10.1021/je7004177 (Dataseries: 5, Datapoints: 35, Quantity: Mole fraction)
- ethanol + betulin + water (Datasets: 1)
- Dataset 4 in paper 10.1021/je7004177 (Dataseries: 5, Datapoints: 35, Quantity: Mole fraction)
- betulin (Datasets: 8)
- Dataset 1 in paper 10.1016/j.fluid.2008.02.013 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of transition or fusion)
- Dataset 2 in paper 10.1016/j.fluid.2008.02.013 (Dataseries: 1, Datapoints: 1, Quantity: Normal melting temperature)
- Dataset 3 in paper 10.1016/j.fluid.2008.02.013 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of transition or fusion)
- Dataset 4 in paper 10.1016/j.fluid.2008.02.013 (Dataseries: 1, Datapoints: 1, Quantity: Normal melting temperature)
- Dataset 5 in paper 10.1016/j.fluid.2008.02.013 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of transition or fusion)
- Dataset 6 in paper 10.1016/j.fluid.2008.02.013 (Dataseries: 1, Datapoints: 1, Quantity: Normal melting temperature)
- Dataset 14 in paper 10.1016/j.jct.2016.02.006 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of transition or fusion)
- Dataset 15 in paper 10.1016/j.jct.2016.02.006 (Dataseries: 1, Datapoints: 1, Quantity: Normal melting temperature)
- methanol + trichloromethane + betulin (Datasets: 1)
- Dataset 9 in paper 10.1016/j.fluid.2008.02.013 (Dataseries: 6, Datapoints: 36, Quantity: Molality)
- betulin + sodium hydroxide + water (Datasets: 1)
- Dataset 1 in paper 10.1016/j.jct.2013.07.014 (Dataseries: 1, Datapoints: 25, Quantity: Mole fraction)
- nonan-1-ol + betulin (Datasets: 1)
- Dataset 18 in paper 10.1016/j.jct.2016.02.006 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- acetonitrile + betulin (Datasets: 1)
- Dataset 20 in paper 10.1016/j.jct.2016.02.006 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- dodecane + betulin (Datasets: 1)
- Dataset 21 in paper 10.1016/j.jct.2016.02.006 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- butan-2-ol + betulin (Datasets: 1)
- Dataset 22 in paper 10.1016/j.jct.2016.02.006 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- dimethylformamide + betulin (Datasets: 1)
- Dataset 23 in paper 10.1016/j.jct.2016.02.006 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- octan-1-ol + betulin (Datasets: 1)
- Dataset 24 in paper 10.1016/j.jct.2016.02.006 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- betulin + hexadecane (Datasets: 1)
- Dataset 25 in paper 10.1016/j.jct.2016.02.006 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- betulin + N-methylpyrrolidone (Datasets: 1)
- Dataset 26 in paper 10.1016/j.jct.2016.02.006 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- betulin + water (Datasets: 1)
- Dataset 27 in paper 10.1016/j.jct.2016.02.006 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)