Cas no 78854-35-0 (AN-3,16-Dtdhete-17)
AN-3,16-Dtdhete-17 structure
Product Name:AN-3,16-Dtdhete-17
CAS No:78854-35-0
MF:C16H18OS2
MW:290.443521976471
CID:564530
PubChem ID:133127
Update Time:2024-03-01
AN-3,16-Dtdhete-17 Chemical and Physical Properties
Names and Identifiers
-
- 4H-Thieno[3',2':5,6]naphtho[1,2-c]thiopyran-6-ol,5,5a,6,7,10,11-hexahydro-5a-methyl-, (5aR,6R)-rel-
- 4H-Thieno(3',2':5,6)naphtho(1,2-c)thiopyran-6-ol, 5,5a,6,7,10,11-hexahydro-5a-methyl-, trans-(+-)-
- A-nor-3,16-dithia-D-homo-1,5(10),8,14-estratetraen-17-ol
- AN-3,16-Dtdhete-17
-
- Inchi： 1S/C16H18OS2/c1-16-6-4-10-11(13(16)8-18-9-15(16)17)2-3-14-12(10)5-7-19-14/h5,7-8,15,17H,2-4,6,9H2,1H3/t15-,16+/m1/s1
- InChI Key： SCBZANADWSAVET-CVEARBPZSA-N
- SMILES： S1C=C2C3CCC4=C(C=CS4)C=3CC[C@]2(C)[C@@H](C1)O
Computed Properties
- Exact Mass: 290.08
- Monoisotopic Mass: 290.08
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 0
- Complexity: 467
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 73.8
- XLogP3: 2.5
Experimental Properties
- Density: 1.32
- Boiling Point: 503.1°C at 760 mmHg
- Flash Point: 258.1°C
- Refractive Index: 1.683
AN-3,16-Dtdhete-17 Related Literature
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C. Achilli,G. F. Guidetti,A. Ciana,D. Capsoni,G. Minetti Biomater. Sci., 2016,4, 1417-1421
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Jadwiga Frelek,Marcin Górecki,Marta ?aszcz,Agata Suszczyńska,Elemér Vass,Wojciech J. Szczepek Chem. Commun., 2012,48, 5295-5297
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Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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