Substance
- Substance Name: Reserpine
- Formula: C33H40N2O9
- Molecular Weight: 608.7 g/mol
- Identifiers:
- inchi: InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1
- inchikey: QEVHRUUCFGRFIF-MDEJGZGSSA-N
- casrn: 50-55-5
- csmiles: COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC
- ismiles: CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC
- pubchemId: 5770
- iupacname: methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
- wikidataId: Q407841
- chemspiderId: 5566
- dsstoxcmpId: DTXCID201237
- chemblId: CHEMBL772
- ecnumber: 200-047-9
Reserpine
Systems and Datasets
- Reserpine + water (Datasets: 2)
- Dataset 1 in paper 10.1021/je500893g (Dataseries: 1, Datapoints: 5, Quantity: Mole fraction)
- Dataset 2 in paper 10.1016/j.jct.2014.12.032 (Dataseries: 1, Datapoints: 5, Quantity: Mole fraction)
- Reserpine + ethanol (Datasets: 1)
- Dataset 2 in paper 10.1021/je500893g (Dataseries: 1, Datapoints: 5, Quantity: Mole fraction)
- Reserpine + 1,2-propanediol (Datasets: 1)
- Dataset 3 in paper 10.1021/je500893g (Dataseries: 1, Datapoints: 5, Quantity: Mole fraction)
- Reserpine + 3,6-dioxa-1-octanol (Datasets: 2)
- Dataset 4 in paper 10.1021/je500893g (Dataseries: 1, Datapoints: 5, Quantity: Mole fraction)
- Dataset 3 in paper 10.1016/j.jct.2014.12.032 (Dataseries: 1, Datapoints: 5, Quantity: Mole fraction)
- Reserpine + 1,2-ethanediol (Datasets: 1)
- Dataset 5 in paper 10.1021/je500893g (Dataseries: 1, Datapoints: 5, Quantity: Mole fraction)
- Reserpine + propan-2-ol (Datasets: 1)
- Dataset 6 in paper 10.1021/je500893g (Dataseries: 1, Datapoints: 5, Quantity: Mole fraction)
- Reserpine + ethyl acetate (Datasets: 1)
- Dataset 7 in paper 10.1021/je500893g (Dataseries: 1, Datapoints: 5, Quantity: Mole fraction)
- Reserpine + 3,6-dioxa-1-octanol + water (Datasets: 1)
- Dataset 1 in paper 10.1016/j.jct.2014.12.032 (Dataseries: 5, Datapoints: 55, Quantity: Mole fraction)