Cas no 55547-62-1 (Card-20(22)-enolide,3,14-dihydroxy-3-methyl-, (3b,5b)- (9CI))
55547-62-1 structure
Product Name:Card-20(22)-enolide,3,14-dihydroxy-3-methyl-, (3b,5b)- (9CI)
CAS No:55547-62-1
MF:C24H36O4
MW:388.540247917175
CID:376913
PubChem ID:21124976
Update Time:2025-04-19
Card-20(22)-enolide,3,14-dihydroxy-3-methyl-, (3b,5b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Card-20(22)-enolide,3,14-dihydroxy-3-methyl-, (3b,5b)- (9CI)
- 3-[(3R,5R,8R,9S,10S,13R,17R)-3,14-dihydroxy-3,10,13-trimethyl-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
- 3-methyldigitoxigenin
- 55547-62-1
- SCHEMBL11747088
- 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-3,10,13-trimethyl-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
- Card-20(22)-enolide, 3,14-dihydroxy-3-methyl-, (3beta,5beta)-
- CHEMBL3250513
-
- Inchi： 1S/C24H36O4/c1-21(26)10-11-22(2)16(13-21)4-5-19-18(22)6-8-23(3)17(7-9-24(19,23)27)15-12-20(25)28-14-15/h12,16-19,26-27H,4-11,13-14H2,1-3H3/t16-,17-,18+,19-,21+,22+,23-,24+/m1/s1
- InChI Key： GWHJWJZEZYIWNA-GJZHUCONSA-N
- SMILES： O[C@]12CC[C@H](C3=CC(=O)OC3)[C@@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@](C)(C[C@H]3CC[C@@H]21)O
Computed Properties
- Exact Mass: 388.26136
- Monoisotopic Mass: 388.26136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 28
- Rotatable Bond Count: 1
- Complexity: 730
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 66.8
Experimental Properties
- Density: 1.204
- Boiling Point: 548.5°C at 760 mmHg
- Flash Point: 184.9°C
- Refractive Index: 1.579
Card-20(22)-enolide,3,14-dihydroxy-3-methyl-, (3b,5b)- (9CI) Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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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