52522-83-5
ACETIC ACID CYANO-DIMETHYL-TETRADECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-3-YL ESTER
NameACETIC ACID CYANO-DIMETHYL-TETRADECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-3-YL ESTER
1Identification
【Name】
ACETIC ACID CYANO-DIMETHYL-TETRADECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-3-YL ESTER
【CAS】
【MDL】
MFCD03938636
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C22 H31 N O2
【pro_molWeight】
341.492
【Inchi】
InChI=1S/C22H31NO2/c1-14(24)25-17-8-10-21(2)15(12-17)4-6-18-19-7-5-16(13-23)22(19,3)11-9-20(18)21/h5,15,17-20H,4,6-12H2,1-3H3/t15-,17-,18?,19?,20?,21?,22?/m0/s1
【InChIKey】
InChIKey=WZQZIPUKBWHLFY-SQLPOVAESA-N
【SMILES】
CC(=O)O[C@H]1CCC2([C@H](C1)CCC3C2CCC4(C3CC=C4C#N)C)C
【MOL File】
ACETIC ACID CYANO-DI….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:3
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
ACETIC ACID CYANO-DIMETHYL-TETRADECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-3-YL ESTER.cml