Cas no 49707-37-1 (Estra-4,9,11-trien-3-one,17-(acetyloxy)- (9CI))
49707-37-1 structure
Product Name:Estra-4,9,11-trien-3-one,17-(acetyloxy)- (9CI)
CAS No:49707-37-1
MF:C20H24O3
MW:312.402766227722
CID:329894
PubChem ID:107845
Update Time:2025-04-19
Estra-4,9,11-trien-3-one,17-(acetyloxy)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Estra-4,9,11-trien-3-one,17-(acetyloxy)- (9CI)
- [(8S,13S,14S)-13-methyl-3-oxo-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
- trenbolone acetate
- 17beta-Acetoxyestra-4,9,11-trien-3-one
- Estra-4,9,11-trien-3-one, 17-(acetyloxy)-
- SCHEMBL24444461
- (17beta)-17-(Acetyloxy)estra-4,9,11-trien-3-one
- 49707-37-1
-
- Inchi： 1S/C20H24O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h9-11,17-19H,3-8H2,1-2H3/t17-,18+,19?,20+/m1/s1
- InChI Key： CMRJPMODSSEAPL-FBUBALKHSA-N
- SMILES： O(C(C)=O)C1CC[C@H]2[C@@H]3CCC4=CC(CCC4=C3C=C[C@@]21C)=O
Computed Properties
- Exact Mass: 312.17254462g/mol
- Monoisotopic Mass: 312.17254462g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 2
- Complexity: 666
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 43.4?2
Estra-4,9,11-trien-3-one,17-(acetyloxy)- (9CI) Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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