Cas no 59962-27-5 (17β-hydroxy-17α-methyl-5β-androstane-3,11-dione)
59962-27-5 structure
Product Name:17β-hydroxy-17α-methyl-5β-androstane-3,11-dione
CAS No:59962-27-5
MF:C20H30O3
MW:318.450406551361
CID:1622670
PubChem ID:222796
Update Time:2025-04-21
17β-hydroxy-17α-methyl-5β-androstane-3,11-dione Chemical and Physical Properties
Names and Identifiers
-
- 17β-hydroxy-17α-methyl-5β-androstane-3,11-dione
- 17??-hydroxy-17??-methyl-5??-androstane-3,11-dione, 17??-Hydroxy-17??-methyl-5??-androstan-3,11-dion
- 17??-hydroxy-17??-methyl-5??-androstane-3,11-dione, 17??-Hydroxy-17??-methyl-5??-androstan-3,11-dion;
- MLS002638099
- 59962-27-5
- NSC9723
- NSC-9723
-
- Inchi： 1S/C20H30O3/c1-18-8-6-13(21)10-12(18)4-5-14-15-7-9-20(3,23)19(15,2)11-16(22)17(14)18/h12,14-15,17,23H,4-11H2,1-3H3/t12-,14+,15+,17-,18+,19+,20+/m1/s1
- InChI Key： SLGYIGUMKJYZLP-PVIBPHBRSA-N
- SMILES： O[C@@]1(C)CC[C@@H]2[C@]1(C)CC([C@@H]1[C@@]3(C)CCC(C[C@H]3CC[C@@H]21)=O)=O
Computed Properties
- Exact Mass: 318.2196
- Monoisotopic Mass: 318.21949481g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 0
- Complexity: 569
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37
- LogP: 3.52820
17β-hydroxy-17α-methyl-5β-androstane-3,11-dione Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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