Cas no 3517-42-8 (Pregn-5-en-20-one, 3,21-bis (acetyloxy)-17-hydroxy-, (3.beta.)-)
3517-42-8 structure
Product Name:Pregn-5-en-20-one, 3,21-bis (acetyloxy)-17-hydroxy-, (3.beta.)-
CAS No:3517-42-8
MF:C25H36O6
MW:432.549748420715
CID:308391
PubChem ID:271898
Update Time:2025-04-19
Pregn-5-en-20-one, 3,21-bis (acetyloxy)-17-hydroxy-, (3.beta.)- Chemical and Physical Properties
Names and Identifiers
-
- Pregn-5-en-20-one, 3,21-bis (acetyloxy)-17-hydroxy-, (3.beta.)-
- [2-[(8R,9S,10R,13S,14S,17R)-3-acetyloxy-17-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
- 3beta,17,21-trihydroxypregn-5-en-20-one 3,21-di(acetate)
- 3517-42-8
- SR-01000316320-1
- Pregn-5-en-20-one,21-bis(acetyloxy)-17-hydroxy-, (3.beta.)-
- [2-(3-acetyloxy-17-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate
- Oprea1_872909
- NSC115895
- Oprea1_216900
- DTXSID40956613
- SR-01000316320
- 17-hydroxy-20-oxopregn-5-ene-3,21-diyl diacetate
- NSC-115895
-
- Inchi： 1S/C25H36O6/c1-15(26)30-14-22(28)25(29)12-9-21-19-6-5-17-13-18(31-16(2)27)7-10-23(17,3)20(19)8-11-24(21,25)4/h5,18-21,29H,6-14H2,1-4H3
- InChI Key： OTNAVSJAMNLXPF-UHFFFAOYSA-N
- SMILES： OC1(C(COC(C)=O)=O)CCC2C3CC=C4CC(CCC4(C)C3CCC21C)OC(C)=O
Computed Properties
- Exact Mass: 432.25100
- Monoisotopic Mass: 432.25118886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 31
- Rotatable Bond Count: 6
- Complexity: 817
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 7
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.4
- Topological Polar Surface Area: 89.9?2
Experimental Properties
- PSA: 89.90000
- LogP: 3.74420
Pregn-5-en-20-one, 3,21-bis (acetyloxy)-17-hydroxy-, (3.beta.)- Related Literature
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
3517-42-8 (Pregn-5-en-20-one, 3,21-bis (acetyloxy)-17-hydroxy-, (3.beta.)-) Related Products
- 2203-97-6(Hydrocortisone hemisuccinate)
- 13609-67-1(hydrocortisone 17-butyrate)
- 7753-60-8(Anecortave)
- 83784-20-7(Hydrocortisone hemisuccinate hydrate)
- 1250-97-1(Epi Hydrocortisone 21-Acetate)
- 25092-41-5(17α-Acetyloxy-11β-methyl-19-norprogesterone)
- 50-04-4(Cortisone acetate)
- 34209-81-9(16,17-Epoxypregnenolone Acetate)
- 630-56-8(Hydroxyprogesterone caproate)
- 50-03-3(Hydrocortisone acetate)
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