Cas no 7791-37-9 (3α,20β,21-Trihydroxy-5β-pregnan-11-one)
7791-37-9 structure
Product Name:3α,20β,21-Trihydroxy-5β-pregnan-11-one
CAS No:7791-37-9
MF:C21H34O4
MW:350.492267131805
CID:1063159
PubChem ID:131668497
Update Time:2025-04-20
3α,20β,21-Trihydroxy-5β-pregnan-11-one Chemical and Physical Properties
Names and Identifiers
-
- 3α,20β,21-Trihydroxy-5β-pregnan-11-one
- (20S)-3α.20.21-trihydroxy-5β-pregnanone-(11)
- 3α,20β,21-Trihydroxy
- (3R,5R,8S,9S,10S,13S,14S,17S)-17-((S)-1,2-Dihydroxyethyl)-3-hydroxy-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-11(2H)-one
- 7791-37-9
- 3alpha,20beta,21-Trihydroxy-5beta-pregnan-11-one
- (3R,5R,8S,9S,10S,13S,14S,17S)-17-[(1S)-1,2-Dihydroxyethyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
-
- Inchi： 1S/C21H34O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-16,18-19,22-23,25H,3-11H2,1-2H3/t12-,13-,14+,15+,16-,18-,19-,20+,21+/m1/s1
- InChI Key： NGYONPIMXAHRCT-JACSKPEYSA-N
- SMILES： O=C1C[C@]2(C)[C@@H]([C@@H](CO)O)CC[C@H]2[C@@H]2CC[C@@H]3C[C@@H](CC[C@]3(C)[C@H]21)O
Computed Properties
- Exact Mass: 350.24570956g/mol
- Monoisotopic Mass: 350.24570956g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 2
- Complexity: 548
- 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: 77.8?2
3α,20β,21-Trihydroxy-5β-pregnan-11-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | T795260-1mg |
3α,20β,21-Trihydroxy-5β-pregnan-11-one |
7791-37-9 | 1mg |
$ 207.00 | 2023-04-16 | ||
| TRC | T795260-10mg |
3α,20β,21-Trihydroxy-5β-pregnan-11-one |
7791-37-9 | 10mg |
$ 1642.00 | 2023-04-16 | ||
| TRC | T795260-100mg |
3α,20β,21-Trihydroxy-5β-pregnan-11-one |
7791-37-9 | 100mg |
$ 12800.00 | 2023-09-05 |
3α,20β,21-Trihydroxy-5β-pregnan-11-one Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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