Cas no 27160-72-1 (Curan-17-oic acid,2,16,19,20-tetradehydro-10-hydroxy-, methyl ester, (19E)- (9CI))
27160-72-1 structure
Product Name:Curan-17-oic acid,2,16,19,20-tetradehydro-10-hydroxy-, methyl ester, (19E)- (9CI)
CAS No:27160-72-1
MF:C20H22N2O3
MW:338.400285243988
CID:273650
PubChem ID:5458504
Update Time:2025-04-19
Curan-17-oic acid,2,16,19,20-tetradehydro-10-hydroxy-, methyl ester, (19E)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Curan-17-oic acid,2,16,19,20-tetradehydro-10-hydroxy-, methyl ester, (19E)- (9CI)
- SEWARINE
- 10-Hydroxy-8-methyl-3-(2-propynyl)-1,2,3,4-tetrahydro-5H-(1)benzopyrano(3,4-c)pyrid-5-one
- 10-hydroxy-8-methyl-3-prop-2-ynyl-1,2,3,4-tetrahydro-chromeno[3,4-c]pyridin-5-one
- 5H-(1)Benzopyrano(3,4-c)pyrid-5-one, 1,2,3,4-tetrahydro-10-hydroxy-8-methyl-3-(2-propynyl)-
- 5H-[1]Benzopyrano[3,4-c]pyridin-5-one,1,2,3,4-tetrahydro-10-hydroxy-8-methyl-3-(2-propyn-1-yl)-
- AC1NUTYT
- AG-E-86942
- BRN 0619476
- CTK4F9424
- LS-39899
- 27160-72-1
- CHEMBL2002922
- NSC-263476
- methyl (12E)-12-ethylidene-4-hydroxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate
- NSC263476
-
- Inchi： 1S/C20H22N2O3/c1-3-11-10-22-7-6-20-14-8-12(23)4-5-15(14)21-18(20)17(19(24)25-2)13(11)9-16(20)22/h3-5,8,13,16,21,23H,6-7,9-10H2,1-2H3/b11-3-
- InChI Key： BVYFBTHLXBZJTR-JYOAFUTRSA-N
- SMILES： O(C)C(C1=C2C3(C4C=C(C=CC=4N2)O)CCN2C/C(=C/C)/C1CC23)=O
Computed Properties
- Exact Mass: 338.16300
- Monoisotopic Mass: 338.163
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 25
- Rotatable Bond Count: 2
- Complexity: 684
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 61.8A^2
- XLogP3: 2
Experimental Properties
- Density: 1.37g/cm3
- Boiling Point: 537.1oC at 760 mmHg
- Flash Point: 278.6oC
- Refractive Index: 1.686
- PSA: 61.80000
- LogP: 2.61260
Curan-17-oic acid,2,16,19,20-tetradehydro-10-hydroxy-, methyl ester, (19E)- (9CI) Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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