Cas no 1474-73-3 (Pregn-4-en-3-one, 11b,20b-dihydroxy-6a-methyl- (7CI,8CI))
1474-73-3 structure
Product Name:Pregn-4-en-3-one, 11b,20b-dihydroxy-6a-methyl- (7CI,8CI)
CAS No:1474-73-3
MF:C22H34O3
MW:346.503567218781
CID:230531
PubChem ID:253114
Update Time:2025-04-19
Pregn-4-en-3-one, 11b,20b-dihydroxy-6a-methyl- (7CI,8CI) Chemical and Physical Properties
Names and Identifiers
-
- Pregn-4-en-3-one, 11b,20b-dihydroxy-6a-methyl- (7CI,8CI)
- (6S,8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-((R)-1-hydroxyethyl)-6,10,13-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
- [3a,5b-dimethyl-3-(6-methylheptan-2-yl)-1,2,3,3a,4,5,5a,5b,6,7,8,10,10a,10b-tetradecahydrocyclopenta[a]fluoren-10-yl]methanol
- AC1L5VBM
- AC1Q7CFF
- AG-K-44719
- AR-1A8929
- CTK4E3323
- KST-1A2534
- NSC134934
- 1474-73-3
- NSC75564
- NSC-75564
-
- Inchi： 1S/C22H34O3/c1-12-9-15-17-6-5-16(13(2)23)22(17,4)11-19(25)20(15)21(3)8-7-14(24)10-18(12)21/h10,12-13,15-17,19-20,23,25H,5-9,11H2,1-4H3/t12-,13+,15-,16+,17-,19-,20+,21-,22+/m0/s1
- InChI Key： RNDKPONEBPMNRB-YRYAGHSFSA-N
- SMILES： O[C@H]1C[C@]2(C)[C@@H]([C@@H](C)O)CC[C@H]2[C@@H]2C[C@H](C)C3=CC(CC[C@]3(C)[C@H]21)=O
Computed Properties
- Exact Mass: 346.25079494g/mol
- Monoisotopic Mass: 346.25079494g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 25
- Rotatable Bond Count: 1
- Complexity: 610
- 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: 3.3
- Topological Polar Surface Area: 57.5?2
Pregn-4-en-3-one, 11b,20b-dihydroxy-6a-methyl- (7CI,8CI) Related Literature
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
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
Recommended suppliers
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
NewCan Biotech Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Zouping Mingyuan Import and Export Trading Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
