Cas no 639-43-0 (Curan-17-oicacid, 2,16,19,20-tetradehydro-, methyl ester, (19E)-)
639-43-0 structure
Product Name:Curan-17-oicacid, 2,16,19,20-tetradehydro-, methyl ester, (19E)-
CAS No:639-43-0
MF:C20H22N2O2
MW:322.400885105133
CID:515283
PubChem ID:10314057
Update Time:2025-04-19
Curan-17-oicacid, 2,16,19,20-tetradehydro-, methyl ester, (19E)- Chemical and Physical Properties
Names and Identifiers
-
- Curan-17-oicacid, 2,16,19,20-tetradehydro-, methyl ester, (19E)-
- 2,16,19,20-Tetradehydrocuran-17-oic Acid Methyl Ester
- cur-19-en-17-oic acid, 2,16-didehydro-, methyl ester, (19E)-
- methyl (19E)-2,16-didehydrocur-19-en-17-oate
- methyl (19E)-2,16,19,20-tetradehydrocuran-17-oate
- Akuammicine; (-)-form
- (-)-Akuammicine:Akuammicine
- ConMedNP.185
- (-)-akuammicine
- 639-43-0
- DTXSID30903914
- RG055O00BG
- UNII-RG055O00BG
- Curan-17-oic acid, 2,16,19,20-tetradehydro-, methyl ester, (19E)-
- NS00093684
- Q15079655
- AKUAMMICINE [MI]
- Akuammicine
- CHEBI:70499
- AKUAMMICINE, (-)-
- methyl (1R,11S,12E,17S)-12-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate
-
- Inchi： 1S/C20H22N2O2/c1-3-12-11-22-9-8-20-14-6-4-5-7-15(14)21-18(20)17(19(23)24-2)13(12)10-16(20)22/h3-7,13,16,21H,8-11H2,1-2H3/b12-3-/t13-,16-,20+/m0/s1
- InChI Key： AGZMFTKKLPHOMT-DUJTVWLASA-N
- SMILES： O(C)C(C1=C2[C@@]3(C4C=CC=CC=4N2)CCN2C/C(=C/C)/[C@@H]1C[C@H]23)=O
Computed Properties
- Exact Mass: 322.168127949g/mol
- Monoisotopic Mass: 322.168127949g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 2
- Complexity: 652
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 41.6?2
- XLogP3: 2.4
Experimental Properties
- Density: 1.29
- Melting Point: 182°
- Boiling Point: 480.7°Cat760mmHg
- Flash Point: 244.5°C
- Refractive Index: 1.661
- pka: 7.45(at 25℃)
- Specific Rotation: D16 -745° (c = 0.994 in ethanol)
Curan-17-oicacid, 2,16,19,20-tetradehydro-, methyl ester, (19E)- Related Literature
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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