Cas no 1778-88-7 (Carda-4,20(22)-dienolide,3,14-dihydroxy-, (3b)-)
1778-88-7 structure
Product Name:Carda-4,20(22)-dienolide,3,14-dihydroxy-, (3b)-
CAS No:1778-88-7
MF:C23H32O4
MW:372.497787475586
CID:189067
PubChem ID:315041
Update Time:2025-04-19
Carda-4,20(22)-dienolide,3,14-dihydroxy-, (3b)- Chemical and Physical Properties
Names and Identifiers
-
- Carda-4,20(22)-dienolide,3,14-dihydroxy-, (3b)-
- 3-(3,14-dihydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2H-furan-5-one
- canarigenin
- (3beta)-3,14-dihydroxycarda-4,20(22)-dienolide
- 3,14-Dihydroxy-3beta-carda-4,20(22)-dienolide
- 3,14-dihydroxycarda-4,20(22)-dienolide
- Carda-4,20(22)-dienolide, 3,14-dihydroxy-, (3beta)-
- NSC 237527
- NSC-237527
- 1778-88-7
- DTXSID80938993
- NSC237527
-
- Inchi： 1S/C23H32O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11-12,16-19,24,26H,3-10,13H2,1-2H3
- InChI Key： UVVGWNHIKZRQLP-UHFFFAOYSA-N
- SMILES： OC12CCC(C3=CC(=O)OC3)C1(C)CCC1C3(C)CCC(C=C3CCC21)O
Computed Properties
- Exact Mass: 372.23016
- Monoisotopic Mass: 372.23
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 27
- Rotatable Bond Count: 1
- Complexity: 739
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- Density: 1.24
- Boiling Point: 565.8°Cat760mmHg
- Flash Point: 195.7°C
- Refractive Index: 1.599
- PSA: 66.76
- LogP: 3.52440
Carda-4,20(22)-dienolide,3,14-dihydroxy-, (3b)- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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