Cas no 53020-96-5 (Aehmeo)
Aehmeo structure
Product Name:Aehmeo
CAS No:53020-96-5
MF:C23H30O4
MW:370.481907367706
CID:377307
Update Time:2023-08-02
Aehmeo Chemical and Physical Properties
Names and Identifiers
-
- 18,19-Dinorpregn-4-en-20-yn-3-one,1-(acetyloxy)-13-ethyl-17-hydroxy-, (1b,17a)- (9CI)
- 1-acetoxy-17-ethinyl-17-hydroxy-18-methyl-4-estren-3-one
- Aehmeo
-
- Inchi： 1S/C23H30O4/c1-4-22-10-8-18-17(19(22)9-11-23(22,26)5-2)7-6-15-12-16(25)13-20(21(15)18)27-14(3)24/h2,12,17-21,26H,4,6-11,13H2,1,3H3/t17-,18+,19+,20-,21+,22+,23+/m1/s1
- InChI Key： ZBPVWXFCEBSBMY-AULMYGDYSA-N
- SMILES： O[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=CC(C[C@H]([C@@H]4[C@H]3CC[C@@]21CC)OC(C)=O)=O
Computed Properties
- Exact Mass: 370.214
- Monoisotopic Mass: 370.214
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 27
- Rotatable Bond Count: 4
- Complexity: 743
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 63.6
Experimental Properties
- Density: 1.19
- Boiling Point: 505.5°Cat760mmHg
- Flash Point: 170.6°C
- Refractive Index: 1.566
Aehmeo Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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