Cas no 510-63-4 (Cannogenin)
Cannogenin structure
Product Name:Cannogenin
CAS No:510-63-4
MF:C23H32O5
MW:388.497187614441
CID:379588
PubChem ID:12302396
Update Time:2024-02-29
Cannogenin Chemical and Physical Properties
Names and Identifiers
-
- Card-20(22)-enolide,3,14-dihydroxy-19-oxo-, (3b,5b)- (9CI)
- 3β,14-Dihydroxy-19-oxo-5β-card-20(22)-enolide
- 5b-Card-20(22)-enolide, 3b,14-dihydroxy-19-oxo- (7CI,8CI)
- Cannogenin (6CI)
- Kannogenin
- cannogenin
- LMST01120004
- Q27117395
- DTXSID001023653
- 3beta,14-dihydroxy-19-oxo-5beta-card-20(22)-enolide
- (3S,5R,8R,9S,10R,13R,14S,17R)-3,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
- 510-63-4
- CHEBI:38148
- NS00010560
- Cannogenin
-
- Inchi： 1S/C23H32O5/c1-21-7-5-18-19(3-2-15-11-16(25)4-8-22(15,18)13-24)23(21,27)9-6-17(21)14-10-20(26)28-12-14/h10,13,15-19,25,27H,2-9,11-12H2,1H3/t15-,16+,17-,18+,19-,21-,22-,23+/m1/s1
- InChI Key： JNTNUSUPTSNMNJ-NNNAONFXSA-N
- SMILES： O[C@]12CC[C@H](C3=CC(=O)OC3)[C@@]1(C)CC[C@@H]1[C@@]3(C=O)CC[C@@H](C[C@H]3CC[C@@H]21)O
Computed Properties
- Exact Mass: 388.225
- Monoisotopic Mass: 388.225
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 28
- Rotatable Bond Count: 2
- Complexity: 731
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.3
- Topological Polar Surface Area: 83.8
Cannogenin Related Literature
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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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