Substance
- Substance Name: 11-beta-Hydroxypregna-1,4,16-triene-3,20-dione
- Formula: C21H26O3
- Molecular Weight: 326.4 g/mol
- Identifiers:
- inchi: InChI=1S/C21H26O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h6,8-10,15,17-19,24H,4-5,7,11H2,1-3H3/t15-,17-,18-,19+,20-,21+/m0/s1
- inchikey: UVOTVQIUSZDLAM-GGLFOPPFSA-N
- csmiles: CC(=O)C1=CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C
- ismiles: CC(=O)C1=CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C
- pubchemId: 10969449
- iupacname: (8S,9S,10R,11S,13S,14S)-17-acetyl-11-hydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-one
11-beta-Hydroxypregna-1,4,16-triene-3,20-dione
Systems and Datasets
- ethanol + 11-beta-Hydroxypregna-1,4,16-triene-3,20-dione (Datasets: 1)
- Dataset 1 in paper 10.1021/je800174u (Dataseries: 1, Datapoints: 17, Quantity: Mole fraction)
- acetone + 11-beta-Hydroxypregna-1,4,16-triene-3,20-dione (Datasets: 1)
- Dataset 2 in paper 10.1021/je800174u (Dataseries: 1, Datapoints: 7, Quantity: Mole fraction)
- ethanol + water + 11-beta-Hydroxypregna-1,4,16-triene-3,20-dione (Datasets: 1)
- Dataset 3 in paper 10.1021/je800174u (Dataseries: 6, Datapoints: 84, Quantity: Mole fraction)