Cas no 25814-73-7 ([(4R,5R,8S,9S,10R,13S,14S)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate)
![[(4R,5R,8S,9S,10R,13S,14S)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate structure](https://ossimg.kuujia.com/scimg/26000/25814-73-7x500.png)
25814-73-7 structure
Product Name:[(4R,5R,8S,9S,10R,13S,14S)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate
CAS No:25814-73-7
MF:C21H34O2
MW:318.493466854095
CID:2661498
Update Time:2023-08-06
[(4R,5R,8S,9S,10R,13S,14S)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate Chemical and Physical Properties
Names and Identifiers
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- 4α-Acetoxy-5α-androstane
- 4alpha-Acetoxy-5alpha-androstane
- [(4R,5R,8S,9S,10R,13S,14S)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclop
- [(4R,5R,8S,9S,10R,13S,14S)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate
-
- Inchi： 1S/C21H34O2/c1-14(22)23-19-7-5-12-21(3)17-10-13-20(2)11-4-6-16(20)15(17)8-9-18(19)21/h15-19H,4-13H2,1-3H3/t15-,16-,17-,18-,19+,20-,21+/m0/s1
- InChI Key： ZKLQMYXUPGSIGN-SPKZCENISA-N
- SMILES： O(C(C)=O)[C@@H]1CCC[C@@]2(C)[C@H]1CC[C@H]1[C@@H]3CCC[C@@]3(C)CC[C@@H]12
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 2
- Complexity: 486
- Topological Polar Surface Area: 26.3
[(4R,5R,8S,9S,10R,13S,14S)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate Related Literature
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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