Cas no 21813-74-1 (1-Dehydromelengestrol acetate)
1-Dehydromelengestrol acetate structure
Product Name:1-Dehydromelengestrol acetate
CAS No:21813-74-1
MF:C25H30O4
MW:394.503307819366
CID:276535
Update Time:2023-08-02
1-Dehydromelengestrol acetate Chemical and Physical Properties
Names and Identifiers
-
- Pregna-1,4,6-triene-3,20-dione,17-(acetyloxy)-6-methyl-16-methylene- (9CI)
- 1-Dehydromelengesterolacetate
- Pregna-1,4,6-triene-3,20-dione,17-hydroxy-6-methyl-16-methylene-, acetate (7CI,8CI)
- 1-Dehydromelengestrol acetate
- 1-DH-Melengestrol-Ac
-
- Inchi： 1S/C25H30O4/c1-14-11-19-20(23(5)9-7-18(28)13-21(14)23)8-10-24(6)22(19)12-15(2)25(24,16(3)26)29-17(4)27/h7,9,11,13,19-20,22H,2,8,10,12H2,1,3-6H3/t19-,20+,22+,23-,24+,25+/m1/s1
- InChI Key： IJTWFESMIJYNAJ-DWNQPYOZSA-N
- SMILES： O(C(C)=O)[C@]1(C(C)=O)C(=C)C[C@H]2[C@@H]3C=C(C)C4=CC(C=C[C@]4(C)[C@H]3CC[C@@]21C)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 29
- Rotatable Bond Count: 3
- Complexity: 935
- Topological Polar Surface Area: 60.4
1-Dehydromelengestrol acetate Related Literature
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
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