Cas no 53991-48-3 (Androst-5-ene-3,17-diol,diacetate, (3b,17a)- (9CI))
53991-48-3 structure
Product Name:Androst-5-ene-3,17-diol,diacetate, (3b,17a)- (9CI)
CAS No:53991-48-3
MF:C23H34O4
MW:374.513667583466
CID:370651
PubChem ID:104667
Update Time:2025-04-19
Androst-5-ene-3,17-diol,diacetate, (3b,17a)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Androst-5-ene-3,17-diol,diacetate, (3b,17a)- (9CI)
- androst-5-ene-3-beta,17-alpha-diol di(acetate)
- (3beta,17alpha)-androst-5-ene-3,17-diyl diacetate
- DTXSID701251554
- 53991-48-3
- EINECS 258-906-9
- NS00088419
- Androst-5-ene-3,17-diol, diacetate, (3beta,17alpha)-
-
- Inchi： 1S/C23H34O4/c1-14(24)26-17-9-11-22(3)16(13-17)5-6-18-19-7-8-21(27-15(2)25)23(19,4)12-10-20(18)22/h5,17-21H,6-13H2,1-4H3/t17-,18-,19-,20-,21+,22-,23-/m0/s1
- InChI Key： QXKRUGDXPWHXHL-MHYDGWTMSA-N
- SMILES： O(C(C)=O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@@]21C)OC(C)=O
Computed Properties
- Exact Mass: 374.24582
- Monoisotopic Mass: 374.24570956g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 27
- Rotatable Bond Count: 4
- Complexity: 667
- 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: 4.7
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Androst-5-ene-3,17-diol,diacetate, (3b,17a)- (9CI) Related Literature
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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2. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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