Cas no 76-28-8 (Card-20(22)-enolide,3,11,14-trihydroxy-, (3b,5b,11a)-)
76-28-8 structure
Product Name:Card-20(22)-enolide,3,11,14-trihydroxy-, (3b,5b,11a)-
Card-20(22)-enolide,3,11,14-trihydroxy-, (3b,5b,11a)- Chemical and Physical Properties
Names and Identifiers
-
- Card-20(22)-enolide,3,11,14-trihydroxy-, (3b,5b,11a)-
- 11α-Hydroxydigitoxigenin
- (3beta,5beta,11alpha)-3,11,14-trihydroxycard-20(22)-enolide
- sarmentogenin
- 3-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
- Sarmentogenin (11-alpha-Hydoxydigitoxigenin)
- 11.ALPHA.-HYDROXYDIGITOXIGENIN
- SARMENTOGENIN [MI]
- Card-20(22)-enolide, 3,11,14-trihydroxy-, (3beta,5beta,11alpha)-
- Q27117221
- NS00094829
- CARD-20(22)-ENOLIDE, 3,11,14-TRIHYDROXY-, (3.BETA.,5.BETA.,11.ALPHA.)-
- 5-beta-CARD-20(22)-ENOLIDE, 3-beta,11-alpha,14-TRIHYDROXY-
- SCHEMBL1230965
- CHEBI:37665
- EX5655UIRZ
- UNII-EX5655UIRZ
- 3.BETA.,11.ALPHA.,14-TRIHYDROXY-5.BETA.-CARD-20(22)-ENOLIDE
- CHEMBL1075814
- 76-28-8
- DTXSID80878643
-
- Inchi： 1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-20(21)18(25)11-22(2)16(6-8-23(17,22)27)13-9-19(26)28-12-13/h9,14-18,20,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18-,20-,21+,22-,23+/m1/s1
- InChI Key： FLMSQRUGSHIKCT-DDZQJACLSA-N
- SMILES： O[C@]12CC[C@H](C3=CC(=O)OC3)[C@@]1(C)C[C@H]([C@@H]1[C@@]3(C)CC[C@@H](C[C@H]3CC[C@@H]21)O)O
Computed Properties
- Exact Mass: 390.24062418g/mol
- Monoisotopic Mass: 390.24062418g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 28
- Rotatable Bond Count: 1
- Complexity: 718
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 87?2
Experimental Properties
- Density: 1.0639 (rough estimate)
- Melting Point: 278-282°; melting at 258°
- Boiling Point: 435.71°C (rough estimate)
- Refractive Index: 1.6090 (estimate)
- Specific Rotation: D19 +21.1 ± 4° (c = 0.521 in methanol)
Card-20(22)-enolide,3,11,14-trihydroxy-, (3b,5b,11a)- Related Literature
-
Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cardenolides and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones Cardenolides and derivatives
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