20748-22-5
17-(1,5-DIMETHYLHEXYL)-10,13-DIMETHYL-2,3,4,5,6,9,10,11,12,13,16,17-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-YL BENZOATE
Name17-(1,5-DIMETHYLHEXYL)-10,13-DIMETHYL-2,3,4,5,6,9,10,11,12,13,16,17-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-YL BENZOATE
1Identification
【Name】
17-(1,5-DIMETHYLHEXYL)-10,13-DIMETHYL-2,3,4,5,6,9,10,11,12,13,16,17-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-YL BENZOATE
【CAS】
【MDL】
MFCD00276600
【English Synonyms】
17-(1,5-DIMETHYLHEXYL)-10,13-DIMETHYL-2,3,4,5,6,9,10,11,12,13,16,17-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-YL BENZOATE
【Formula】
C34 H48 O2
【MolWeight】
488.751
【Inchi】
InChI=1S/C34H48O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-13,15,17,23-24,26-27,29,31H,9-11,14,16,18-22H2,1-5H3
【InChIKey】
InChIKey=GYUGTSINMCTVDX-UHFFFAOYSA-N
【SMILES】
CC(C)CCCC(C)C1CC=C2C1(CCC3C2=CCC4C3(CCC(C4)OC(=O)c5ccccc5)C)C
【MOL File】
17-(1,5-DIMETHYLHEXY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:11.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
17-(1,5-DIMETHYLHEXYL)-10,13-DIMETHYL-2,3,4,5,6,9,10,11,12,13,16,17-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-YL BENZOATE.cml