Cas no 25814-74-8 ([(4S,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)
25814-74-8 structure
Product Name:[(4S,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:25814-74-8
MF:C21H34O2
MW:318.493466854095
CID:2661499
Update Time:2023-08-06
[(4S,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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- 4β-Acetoxy-5α-androstane
- 4beta-Acetoxy-5alpha-androstane
- [(4S,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
- [(4S,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
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- 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-NUNROCCHSA-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
[(4S,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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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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