Cas no 78806-60-7 (Pregna-1,4-diene-3,20-dione,11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-21-(1-oxobutoxy)-, (11b,16a)- (9CI))
![Pregna-1,4-diene-3,20-dione,11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-21-(1-oxobutoxy)-, (11b,16a)- (9CI) structure](https://ossimg.kuujia.com/scimg/79000/78806-60-7x500.png)
78806-60-7 structure
Product Name:Pregna-1,4-diene-3,20-dione,11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-21-(1-oxobutoxy)-, (11b,16a)- (9CI)
CAS No:78806-60-7
MF:C28H38O7
MW:486.59712934494
CID:578465
PubChem ID:102269345
Update Time:2025-04-19
Pregna-1,4-diene-3,20-dione,11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-21-(1-oxobutoxy)-, (11b,16a)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pregna-1,4-diene-3,20-dione,11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-21-(1-oxobutoxy)-, (11b,16a)- (9CI)
- 11beta,21-Dihydroxy-16alpha,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione 21-butyrate
- 78806-60-7
- EINECS 278-983-2
-
- Inchi： 1S/C28H38O7/c1-6-7-23(32)33-15-21(31)28-22(34-25(2,3)35-28)13-19-18-9-8-16-12-17(29)10-11-26(16,4)24(18)20(30)14-27(19,28)5/h10-12,18-20,22,24,30H,6-9,13-15H2,1-5H3/t18-,19-,20-,22+,24+,26-,27-,28+/m0/s1
- InChI Key： UWWXLWUUTASPBC-HDMINPCUSA-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(CCC)=O)=O)O)=O
Computed Properties
- Exact Mass: 486.26175355g/mol
- Monoisotopic Mass: 486.26175355g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 35
- Rotatable Bond Count: 6
- Complexity: 1010
- 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: 3.3
- Topological Polar Surface Area: 99.1?2
Pregna-1,4-diene-3,20-dione,11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-21-(1-oxobutoxy)-, (11b,16a)- (9CI) Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
78806-60-7 (Pregna-1,4-diene-3,20-dione,11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-21-(1-oxobutoxy)-, (11b,16a)- (9CI)) Related Products
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