Cas no 15734-50-6 (Pregnan-20-one,3,11,17,21-tetrahydroxy-, (3b,5b,11b)- (9CI))
15734-50-6 structure
Product Name:Pregnan-20-one,3,11,17,21-tetrahydroxy-, (3b,5b,11b)- (9CI)
CAS No:15734-50-6
MF:C21H34O5
MW:366.49166727066
CID:98636
PubChem ID:21969163
Update Time:2025-04-18
Pregnan-20-one,3,11,17,21-tetrahydroxy-, (3b,5b,11b)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Pregnan-20-one,3,11,17,21-tetrahydroxy-, (3b,5b,11b)- (9CI)
- 2-hydroxy-1-[(3S,5R,8S,9S,10S,11S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
- 3B,11B,17ALPHA,21-Tetrahydroxy-5B-pregnan-20-one
- 15734-50-6
- DTXSID20620966
- 5beta-Pregnan-3beta,11beta,17,21-tetrol-20-one
- SCHEMBL8168541
- 3β-TETRAHYDROCORTISOL
-
- Inchi： 1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13+,14+,15+,16+,18-,19+,20+,21+/m1/s1
- InChI Key： AODPIQQILQLWGS-VSQWXHCBSA-N
- SMILES： O[C@H]1C[C@]2(C)[C@@](C(CO)=O)(CC[C@H]2[C@@H]2CC[C@@H]3C[C@H](CC[C@]3(C)[C@H]21)O)O
Computed Properties
- Exact Mass: 366.24062418g/mol
- Monoisotopic Mass: 366.24062418g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 26
- Rotatable Bond Count: 2
- Complexity: 593
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 98?2
Pregnan-20-one,3,11,17,21-tetrahydroxy-, (3b,5b,11b)- (9CI) Security Information
- Hazard Category Code： 23/24/25-36/37/38-40
- Safety Instruction： 22-26-36-45
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Hazardous Material Identification：
Pregnan-20-one,3,11,17,21-tetrahydroxy-, (3b,5b,11b)- (9CI) Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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