Cas no 85249-09-8 (Estrane-3,17-dione)
Estrane-3,17-dione structure
Product Name:Estrane-3,17-dione
CAS No:85249-09-8
MF:C18H26O2
MW:274.397845745087
CID:4235393
PubChem ID:14754309
Update Time:2025-04-24
Estrane-3,17-dione Chemical and Physical Properties
Names and Identifiers
-
- Estrane-3,17-dione
- A)-Estrane-3,17-dione
- FAA69658
- (5
- SY297072
- 5Alpha-Estran-3, 17-dione
- 85249-09-8
- SCHEMBL19961985
- SY297073
-
- Inchi: 1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11,13-16H,2-10H2,1H3
- InChI Key: CRDKSBHJIGNEOH-UHFFFAOYSA-N
- SMILES: O=C1CCC2C1(C)CCC1C3CCC(CC3CCC12)=O
Computed Properties
- Exact Mass: 274.193280068g/mol
- Monoisotopic Mass: 274.193280068g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 0
- Complexity: 454
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 6
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 34.1?2
Estrane-3,17-dione Related Literature
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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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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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