Cas no 17916-84-6 (Pregna-4,6-diene-3,20-dione,21-hydroxy- (8CI,9CI))
17916-84-6 structure
Product Name:Pregna-4,6-diene-3,20-dione,21-hydroxy- (8CI,9CI)
CAS No:17916-84-6
MF:C21H28O3
MW:328.445226669312
CID:122646
PubChem ID:18594074
Update Time:2025-04-18
Pregna-4,6-diene-3,20-dione,21-hydroxy- (8CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pregna-4,6-diene-3,20-dione,21-hydroxy- (8CI,9CI)
- Pregna-4,6-diene-3,20-dione, 21-hydroxy-
- 21-Hydroxypregna-4,6-diene-3,20-dione
- SCHEMBL10381553
- (8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
- 17916-84-6
- 21-Hydroxypregna-4,6-diene-3,20-dione #
- TZGCPIWXEWYCLJ-YFWFAHHUSA-N
-
- Inchi： 1S/C21H28O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h3-4,11,15-18,22H,5-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1
- InChI Key： TZGCPIWXEWYCLJ-YFWFAHHUSA-N
- SMILES： O=C(CO)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(CC[C@]4(C)[C@H]3CC[C@@]21C)=O
Computed Properties
- Exact Mass: 328.20394
- Monoisotopic Mass: 328.20384475g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 24
- Rotatable Bond Count: 2
- Complexity: 646
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37
Pregna-4,6-diene-3,20-dione,21-hydroxy- (8CI,9CI) Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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