Cas no 114593-88-3 (Pregn-4-ene-3,20-dione,11,17-dihydroxy-21-[(6-hydroxy-1-oxohexyl)oxy]-, (11b)-)
![Pregn-4-ene-3,20-dione,11,17-dihydroxy-21-[(6-hydroxy-1-oxohexyl)oxy]-, (11b)- structure](https://ossimg.kuujia.com/scimg/115000/114593-88-3x500.png)
114593-88-3 structure
Product Name:Pregn-4-ene-3,20-dione,11,17-dihydroxy-21-[(6-hydroxy-1-oxohexyl)oxy]-, (11b)-
CAS No:114593-88-3
MF:C27H40O7
MW:476.60230922699
CID:171793
PubChem ID:21116188
Update Time:2025-04-19
Pregn-4-ene-3,20-dione,11,17-dihydroxy-21-[(6-hydroxy-1-oxohexyl)oxy]-, (11b)- Chemical and Physical Properties
Names and Identifiers
-
- Pregn-4-ene-3,20-dione,11,17-dihydroxy-21-[(6-hydroxy-1-oxohexyl)oxy]-, (11b)-
- 21-(6-Hydroxy-1-oxohexyloxy)-11β,17-dihydroxypregna-4-ene-3,20-dione
- Cortisol 21-(6-hydroxyhexanoate)
- 114593-88-3
- [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 6-hydroxyhexanoate
- Pregn-4-ene-3,20-dione, 11,17-dihydroxy-21-((6-hydroxy-1-oxohexyl)oxy)-, (11beta)-
- Hydrocortisone 6-hydroxyhexanoate
- DTXSID60872907
-
- Inchi： 1S/C27H40O7/c1-25-11-9-18(29)14-17(25)7-8-19-20-10-12-27(33,26(20,2)15-21(30)24(19)25)22(31)16-34-23(32)6-4-3-5-13-28/h14,19-21,24,28,30,33H,3-13,15-16H2,1-2H3/t19-,20-,21-,24+,25-,26-,27-/m0/s1
- InChI Key： YUFRCVRCAXAMAD-FOMYWIRZSA-N
- SMILES： O[C@]1(C(COC(CCCCCO)=O)=O)CC[C@H]2[C@@H]3CCC4=CC(CC[C@]4(C)[C@H]3[C@H](C[C@@]21C)O)=O
Computed Properties
- Exact Mass: 476.27740361g/mol
- Monoisotopic Mass: 476.27740361g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 34
- Rotatable Bond Count: 9
- Complexity: 865
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 121?2
Pregn-4-ene-3,20-dione,11,17-dihydroxy-21-[(6-hydroxy-1-oxohexyl)oxy]-, (11b)- Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
114593-88-3 (Pregn-4-ene-3,20-dione,11,17-dihydroxy-21-[(6-hydroxy-1-oxohexyl)oxy]-, (11b)-) Related Products
- 2203-97-6(Hydrocortisone hemisuccinate)
- 1107-99-9(Prednisolone Pivalate)
- 86401-95-8(6a-Methyl Prednisolone Aceponate)
- 125-10-0(Prednisone Acetate)
- 808-48-0(Desoxycorticosterone pivalate)
- 50-04-4(Cortisone acetate)
- 52-21-1(prednisolone acetate)
- 1106-03-2(Meprednisone Acetate)
- 630-56-8(Hydroxyprogesterone caproate)
- 50-03-3(Hydrocortisone acetate)
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