Cas no 102305-50-0 (Card-20(22)-enolide,3,6,14-trihydroxy-, (3b,5b)- (9CI))
102305-50-0 structure
Product Name:Card-20(22)-enolide,3,6,14-trihydroxy-, (3b,5b)- (9CI)
CAS No:102305-50-0
MF:C23H34O5
MW:390.513067722321
CID:228843
PubChem ID:59295
Update Time:2025-04-19
Card-20(22)-enolide,3,6,14-trihydroxy-, (3b,5b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Card-20(22)-enolide,3,6,14-trihydroxy-, (3b,5b)- (9CI)
- 3-[(3S,5R,10R,13R,14S,17R)-3,6,14-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
- DTXSID90907352
- 3,6,14-Trihydroxycard-20(22)-enolide
- 102305-50-0
-
- Inchi： 1S/C23H34O5/c1-21-6-3-14(24)10-18(21)19(25)11-17-16(21)4-7-22(2)15(5-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16?,17?,18-,19?,21+,22+,23-/m0/s1
- InChI Key： NAUPKGAOVHSNRY-QYLPJJJPSA-N
- SMILES： O[C@]12CC[C@H](C3=CC(=O)OC3)[C@@]1(C)CCC1[C@@]3(C)CC[C@@H](C[C@H]3C(CC21)O)O
Computed Properties
- Exact Mass: 390.24072
- Monoisotopic Mass: 390.240624
- 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: 6
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 87
Experimental Properties
- Density: 1.297
- Boiling Point: 589.4°Cat760mmHg
- Flash Point: 203°C
- Refractive Index: 1.609
- PSA: 86.99
Card-20(22)-enolide,3,6,14-trihydroxy-, (3b,5b)- (9CI) Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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