Cas no 78806-68-5 (Pregna-1,4-diene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-,(11b,16a)- (9CI))
![Pregna-1,4-diene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-,(11b,16a)- (9CI) structure](https://ossimg.kuujia.com/scimg/79000/78806-68-5x500.png)
78806-68-5 structure
Product Name:Pregna-1,4-diene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-,(11b,16a)- (9CI)
CAS No:78806-68-5
MF:C29H40O7
MW:500.62370967865
CID:571757
PubChem ID:71300443
Update Time:2025-04-19
Pregna-1,4-diene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-,(11b,16a)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pregna-1,4-diene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-,(11b,16a)- (9CI)
- 11beta,21-dihydroxy-16alpha,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione 21-pivalate
- EINECS 278-984-8
- EINECS 302-896-1
- PREGNA-1,4-DIENE-3,20-DIONE, 21-(2,2-DIMETHYL-1-OXOPROPOXY)-11-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-, (11.BETA.,16.ALPHA.)-
- Q27290989
- UB3LO24HGK
- DTXSID00229315
- DESONIDE PIVALATE [WHO-DD]
- 78806-68-5
- Desonide pivalate
- UNII-UB3LO24HGK
-
- Inchi： 1S/C29H40O7/c1-25(2,3)24(33)34-15-21(32)29-22(35-26(4,5)36-29)13-19-18-9-8-16-12-17(30)10-11-27(16,6)23(18)20(31)14-28(19,29)7/h10-12,18-20,22-23,31H,8-9,13-15H2,1-7H3/t18-,19-,20-,22+,23+,27-,28-,29+/m0/s1
- InChI Key： FAPMGCFSVXGXMO-FHKBAQRKSA-N
- SMILES： O1C(C)(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(C=C[C@]5(C)[C@H]4[C@H](C[C@]3(C)[C@]12C(COC(C(C)(C)C)=O)=O)O)=O
Computed Properties
- Exact Mass: 500.27700
- Monoisotopic Mass: 500.27740361g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 36
- Rotatable Bond Count: 5
- Complexity: 1060
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.8
- Topological Polar Surface Area: 99.1?2
Experimental Properties
- PSA: 99.13000
- LogP: 3.92370
Pregna-1,4-diene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-,(11b,16a)- (9CI) Related Literature
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
78806-68-5 (Pregna-1,4-diene-3,20-dione,21-(2,2-dimethyl-1-oxopropoxy)-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-,(11b,16a)- (9CI)) Related Products
- 126544-47-6(Ciclesonide)
- 1225382-70-6(Ciclesonide-d7)
- 1040085-98-0(Di-Norbudesonide(Mixture of Diastereomers))
- 141845-82-1(Ciclesonide)
- 638-94-8(Desonide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
Recommended suppliers
Changzhou Guanjia Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Xiamen PinR Bio-tech Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
TAIXING JOXIN BIO-TEC CO.,LTD.
Gold Member
Audited Supplier
CN Supplier
Bulk
Jinan Hanyu Chemical Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
