Substance
- Substance Name: 3-oxolup-20(29)-en-28-oic acid
- Formula: C30H46O3
- Molecular Weight: 454.7 g/mol
- Identifiers:
- inchi: InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24?,27-,28+,29+,30-/m0/s1
- inchikey: SLJTWDNVZKIDAU-KZLQVGROSA-N
- csmiles: CC(=C)C1CCC2(C1C3CCC4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)C(=O)O
- ismiles: CC(=C)[C@@H]1CC[C@]2(C1[C@H]3CC[C@@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)C(=O)O
- pubchemId: 50990782
- iupacname: (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
- casrn: 4481-62-3
3-oxolup-20(29)-en-28-oic acid
Systems and Datasets
- 3-oxolup-20(29)-en-28-oic acid (Datasets: 2)
- Dataset 7 in paper 10.1021/acs.jced.5b00122 (Dataseries: 1, Datapoints: 1, Quantity: Normal melting temperature)
- Dataset 8 in paper 10.1021/acs.jced.5b00122 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of transition or fusion)
- methanol + 3-oxolup-20(29)-en-28-oic acid (Datasets: 1)
- Dataset 9 in paper 10.1021/acs.jced.5b00122 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- ethanol + 3-oxolup-20(29)-en-28-oic acid (Datasets: 1)
- Dataset 10 in paper 10.1021/acs.jced.5b00122 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- propan-1-ol + 3-oxolup-20(29)-en-28-oic acid (Datasets: 1)
- Dataset 11 in paper 10.1021/acs.jced.5b00122 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- propan-2-ol + 3-oxolup-20(29)-en-28-oic acid (Datasets: 1)
- Dataset 12 in paper 10.1021/acs.jced.5b00122 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- 2-methoxyethan-1-ol + 3-oxolup-20(29)-en-28-oic acid (Datasets: 1)
- Dataset 13 in paper 10.1021/acs.jced.5b00122 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- 2-propoxyethanol + 3-oxolup-20(29)-en-28-oic acid (Datasets: 1)
- Dataset 14 in paper 10.1021/acs.jced.5b00122 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)