Cas no 5230-57-9 (Androst-5-ene-17beta-carboxylic acid, 3beta-hydroxy-17-methyl-, methyl ester, acetate)
5230-57-9 structure
Product Name:Androst-5-ene-17beta-carboxylic acid, 3beta-hydroxy-17-methyl-, methyl ester, acetate
CAS No:5230-57-9
MF:C24H36O4
MW:388.540247917175
CID:2666587
Update Time:2023-08-06
Androst-5-ene-17beta-carboxylic acid, 3beta-hydroxy-17-methyl-, methyl ester, acetate Chemical and Physical Properties
Names and Identifiers
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- 3β-(Acetyloxy)-17-methylandrost-5-ene-17β-carboxylic acid methyl ester
- DCTSGCCTYULFLQ-FSSNKTKLSA-N
- Androst-5-ene-17beta-carboxylic acid, 3beta-hydroxy-17-methyl-, methyl ester, acetate
-
- Inchi： 1S/C24H36O4/c1-15(25)28-17-8-11-22(2)16(14-17)6-7-18-19(22)9-12-23(3)20(18)10-13-24(23,4)21(26)27-5/h6,17-20H,7-14H2,1-5H3/t17-,18+,19-,20-,22-,23-,24+/m0/s1
- InChI Key： DCTSGCCTYULFLQ-FSSNKTKLSA-N
- SMILES： O(C)C([C@@]1(C)CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@@]21C)OC(C)=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 28
- Rotatable Bond Count: 4
- Complexity: 711
- Topological Polar Surface Area: 52.6
Androst-5-ene-17beta-carboxylic acid, 3beta-hydroxy-17-methyl-, methyl ester, acetate Related Literature
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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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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