Cas no 4780-55-6 (Pregna-4,9(11)-diene-3,20-dione,21-(acetyloxy)- (9CI))
4780-55-6 structure
Product Name:Pregna-4,9(11)-diene-3,20-dione,21-(acetyloxy)- (9CI)
CAS No:4780-55-6
MF:C23H30O4
MW:370.481907367706
CID:330076
PubChem ID:6452101
Update Time:2025-04-19
Pregna-4,9(11)-diene-3,20-dione,21-(acetyloxy)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pregna-4,9(11)-diene-3,20-dione,21-(acetyloxy)- (9CI)
- Pregna-4,9(11)-diene-3,20-dione, 21-(acetyloxy)-
- [2-[(8S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
- 9,11-dehydrodeoxycorticosterone 21-acetate
- DTXSID10197293
- 4780-55-6
- 9,11-Dehydro-desoxycorticosterone 21-acetate
- 9,11-Dehydro-doca
-
- Inchi： 1S/C23H30O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h9,12,17-18,20H,4-8,10-11,13H2,1-3H3/t17-,18-,20+,22-,23-/m0/s1
- InChI Key： RXNMVTIOVLVLKE-CQRJNKKSSA-N
- SMILES： O=C(COC(C)=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(CC[C@]4(C)C3=CC[C@@]21C)=O
Computed Properties
- Exact Mass: 370.2145
- Monoisotopic Mass: 370.21440943g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 27
- Rotatable Bond Count: 4
- Complexity: 760
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 60.4?2
Experimental Properties
- PSA: 60.44
Pregna-4,9(11)-diene-3,20-dione,21-(acetyloxy)- (9CI) Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
4780-55-6 (Pregna-4,9(11)-diene-3,20-dione,21-(acetyloxy)- (9CI)) Related Products
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