Cas no 16991-16-5 (Pregn-5-ene-15,20-dione,12-(acetyloxy)-3,14-dihydroxy-, (3b,12b,14b)- (9CI))
16991-16-5 structure
Product Name:Pregn-5-ene-15,20-dione,12-(acetyloxy)-3,14-dihydroxy-, (3b,12b,14b)- (9CI)
CAS No:16991-16-5
MF:C23H32O6
MW:404.496587753296
CID:226226
Update Time:2024-03-01
Pregn-5-ene-15,20-dione,12-(acetyloxy)-3,14-dihydroxy-, (3b,12b,14b)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Pregn-5-ene-15,20-dione,12-(acetyloxy)-3,14-dihydroxy-, (3b,12b,14b)- (9CI)
- 14b-Pregn-5-ene-15,20-dione, 3b,12b,14-trihydroxy-, 12-acetate (8CI)
- Digacetigenin (6CI,7CI)
- Pregn-5-ene-15,20-dione, 12-(acetyloxy)-3,14-dihydroxy-, (3β,12β,14β)- (9CI)
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- Inchi： 1S/C23H32O6/c1-12(24)17-10-19(27)23(28)16-6-5-14-9-15(26)7-8-21(14,3)18(16)11-20(22(17,23)4)29-13(2)25/h5,15-18,20,26,28H,6-11H2,1-4H3/t15-,16+,17+,18-,20+,21-,22-,23+/m0/s1
- InChI Key： MWUAYUJZNPEJPS-OPSNLTKLSA-N
- SMILES： [C@@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@]3(O)[C@@]([C@H](OC(C)=O)C1)(C)[C@@H](C(=O)C)CC3=O)CC=2
Computed Properties
- Exact Mass: 272.08309
Experimental Properties
- Density: 1.26±0.1 g/cm3(Predicted)
- Melting Point: 164-170 °C
- Boiling Point: 553.0±50.0 °C(Predicted)
- PSA: 52.54
- pka: 11.86±0.70(Predicted)
Pregn-5-ene-15,20-dione,12-(acetyloxy)-3,14-dihydroxy-, (3b,12b,14b)- (9CI) Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Gluco/mineralocorticoids, progestogins and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Pregnane steroids Gluco/mineralocorticoids, progestogins and derivatives
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