Cas no 2725-25-9 (Antiogenin)
Antiogenin structure
Product Name:Antiogenin
CAS No:2725-25-9
MF:C23H34O6
MW:406.512467861176
CID:285726
PubChem ID:12306712
Update Time:2024-02-28
Antiogenin Chemical and Physical Properties
Names and Identifiers
-
- Card-20(22)-enolide,3,5,12,14-tetrahydroxy-, (3b,5b,12b)- (9CI)
- 3β,5,12β,14-Tetrahydroxy-5β,14β-card-20(22)-enolide
- 5b-Card-20(22)-enolide, 3b,5,12b,14-tetrahydroxy- (7CI,8CI)
- Antiogenin
- Antiogenine
- LMST01120007
- Q27117832
-
- Inchi： 1S/C23H34O6/c1-20-6-3-14(24)11-22(20,27)7-4-16-17(20)10-18(25)21(2)15(5-8-23(16,21)28)13-9-19(26)29-12-13/h9,14-18,24-25,27-28H,3-8,10-12H2,1-2H3/t14-,15+,16+,17-,18+,20+,21-,22-,23-/m0/s1
- InChI Key： ULRMPWVHLRZNOY-CFVFHYIWSA-N
- SMILES： O[C@]12CC[C@H](C3=CC(=O)OC3)[C@@]1(C)[C@@H](C[C@@H]1[C@@]3(C)CC[C@@H](C[C@]3(CC[C@@H]21)O)O)O
Computed Properties
- Exact Mass: 406.23553880g/mol
- Monoisotopic Mass: 406.23553880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 29
- Rotatable Bond Count: 1
- Complexity: 765
- 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: -0.1
- Topological Polar Surface Area: 107
Antiogenin Related Literature
-
L. Crombie,V. Gold,B. Capon,C. W. Rees,E. F. Caldin,D. J. Millen,R. F. M. White,C. J. Timmons,E. S. Waight,R. H. Thomson,R. McCrindle,K. H. Overton,R. M. Acheson,K. W. Bentley,J. S. Whitehurst,D. J. Manners,R. C. Sheppard Annu. Rep. Prog. Chem. 1963 60 245
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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