Cas no 639-34-9 (Curan,1-acetyl-17,19-epoxy-, (19R)- (9CI))
639-34-9 structure
Product Name:Curan,1-acetyl-17,19-epoxy-, (19R)- (9CI)
CAS No:639-34-9
MF:C21H26N2O2
MW:338.443345546722
CID:514627
PubChem ID:120759
Update Time:2025-04-19
Curan,1-acetyl-17,19-epoxy-, (19R)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Curan,1-acetyl-17,19-epoxy-, (19R)- (9CI)
- (19R)-1-Acetyl-17,19-epoxycuran
- Spermostrychnin
- 1-(19-Methyl-16,17-dihydro-2,16-cycloformosanan-1-yl)ethan-1-one
- Spermostrychnine
- Curan, 1-acetyl-17,19-epoxy-, 19(R)-
- 639-34-9
- DTXSID80980816
- 1-Acetyl-17,19R-epoxycuran
- 19(R)-1-Acetyl-17,19-epoxycuran
-
- Inchi: 1S/C21H26N2O2/c1-12-15-10-22-8-7-21-17-5-3-4-6-18(17)23(13(2)24)20(21)16(11-25-12)14(15)9-19(21)22/h3-6,12,14-16,19-20H,7-11H2,1-2H3
- InChI Key: BYQCMXYHBHKSQD-UHFFFAOYSA-N
- SMILES: O1C(C)C2CN3CCC45C6C=CC=CC=6N(C(C)=O)C4C(C1)C2CC35
Computed Properties
- Exact Mass: 338.199428076g/mol
- Monoisotopic Mass: 338.199428076g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 25
- Rotatable Bond Count: 0
- Complexity: 609
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 7
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 32.8?2
- XLogP3: 2.2
Experimental Properties
- Density: 1.29
- Boiling Point: 545.9°Cat760mmHg
- Flash Point: 284°C
- Refractive Index: 1.652
Curan,1-acetyl-17,19-epoxy-, (19R)- (9CI) Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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