Cas no 52910-82-4 (Aldosterone 21-hemisuccinate)
Aldosterone 21-hemisuccinate structure
Product Name:Aldosterone 21-hemisuccinate
CAS No:52910-82-4
MF:C25H32O8
MW:460.516788482666
CID:937674
Update Time:2023-11-19
Aldosterone 21-hemisuccinate Chemical and Physical Properties
Names and Identifiers
-
- Aldosterone 21-hemisuccinate
- Aldosteron-21-hemisuccinat
- Aldosterone hemisuccinate
- 832Q0VW947
- Q27269388
- CID 90473201
- 11β-Hydroxy-3,20-dioxo-4-pregnen-18-al 21-hemisuccinate, 4-Pregnen-18-al-11β,21-diol-3,20-dione 21-hemisuccinate
- 11β-Hydroxy-3,20-dioxo-4-pregnen-18-al 21-hemisuccinate
- 4-Pregnen-18-al-11β,21-diol-3,20-dione 21-hemisuccinate
- Pregn-4-en-18-al, 21-(3-carboxy-1-oxopropoxy)-11-hydroxy-3,20-dioxo-, (11β)-
- 4-PREGNEN-11β, 21-DIOL-3, 18, 20-TRIONE 21-HEMISUCCINATE
-
- Inchi: 1S/C25H32O8/c1-24-9-8-15(27)10-14(24)2-3-16-17-4-5-18(25(17,13-26)11-19(28)23(16)24)20(29)12-33-22(32)7-6-21(30)31/h10,13,16-19,23,28H,2-9,11-12H2,1H3,(H,30,31)/t16-,17-,18+,19-,23+,24-,25+/m0/s1
- InChI Key: VNHUSHJDSBENIZ-LVSMEHJRSA-N
- SMILES: O[C@H]1C[C@]2(C=O)[C@@H](C(COC(CCC(=O)O)=O)=O)CC[C@H]2[C@@H]2CCC3=CC(CC[C@]3(C)[C@H]21)=O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 33
- Rotatable Bond Count: 8
- Complexity: 906
- XLogP3: 1.1
- Topological Polar Surface Area: 135
Aldosterone 21-hemisuccinate Related Literature
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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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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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