Cas no 14614-17-6 (Carda-4,20(22)-dienolide,3,14,19-trihydroxy-, (3b)- (9CI))
14614-17-6 structure
Product Name:Carda-4,20(22)-dienolide,3,14,19-trihydroxy-, (3b)- (9CI)
CAS No:14614-17-6
MF:C23H32O5
MW:388.497187614441
CID:196171
PubChem ID:11875952
Update Time:2025-04-19
Carda-4,20(22)-dienolide,3,14,19-trihydroxy-, (3b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Carda-4,20(22)-dienolide,3,14,19-trihydroxy-, (3b)- (9CI)
- 3-[(3S,10S,13R,14S)-3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
- delta(sup 4)-Anhydrostrophanthidol
- CARDA-4,20(22)-DIENOLIDE, 3-beta,14,19-TRIHYDROXY-
- SCHEMBL21578319
- (+)-Securigenol
- Hyrcanogenol
- 3-beta,14,19-Trihydroxycarda-4,20(22)-dienolide
- 14614-17-6
-
- 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/h10-11,16-19,24-25,27H,2-9,12-13H2,1H3/t16-,17+,18-,19+,21+,22+,23-/m0/s1
- InChI Key： QHVJKHHDNXCKKX-ZXIOEMQNSA-N
- SMILES： O[C@]12CC[C@H](C3=CC(=O)OC3)[C@@]1(C)CC[C@@H]1[C@@]3(CO)CC[C@@H](C=C3CC[C@@H]21)O
Computed Properties
- Exact Mass: 388.224974
- Monoisotopic Mass: 388.224974
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 28
- Rotatable Bond Count: 2
- Complexity: 756
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 87
- XLogP3: 1.2
Experimental Properties
- Density: 1.3
- Boiling Point: 616.8°Cat760mmHg
- Flash Point: 214.6°C
- Refractive Index: 1.617
Carda-4,20(22)-dienolide,3,14,19-trihydroxy-, (3b)- (9CI) Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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