70776-86-2
[1R-(1ALPHA,4ABETA,10AALPHA)]-4-[[[7-ISOPROPYL-1,2,3,4,4A,9,10,10A-OCTAHYDRO-1,4A-DIMETHYLPHENANTHREN-1-YL]METHYL](3-OXO-3-PHENYLPROPYL)AMINO]BUTAN-2-ONE
Name[1R-(1ALPHA,4ABETA,10AALPHA)]-4-[[[7-ISOPROPYL-1,2,3,4,4A,9,10,10A-OCTAHYDRO-1,4A-DIMETHYLPHENANTHREN-1-YL]METHYL](3-OXO-3-PHENYLPROPYL)AMINO]BUTAN-2-ONE
1Identification
【Name】
[1R-(1ALPHA,4ABETA,10AALPHA)]-4-[[[7-ISOPROPYL-1,2,3,4,4A,9,10,10A-OCTAHYDRO-1,4A-DIMETHYLPHENANTHREN-1-YL]METHYL](3-OXO-3-PHENYLPROPYL)AMINO]BUTAN-2-ONE
【CAS】
【MDL】
MFCD01940976
【EnglishSynonyms】
[1R-(1ALPHA,4ABETA,10AALPHA)]-4-[[[7-ISOPROPYL-1,2,3,4,4A,9,10,10A-OCTAHYDRO-1,4A-DIMETHYLPHENANTHREN-1-YL]METHYL](3-OXO-3-PHENYLPROPYL)AMINO]BUTAN-2-ONE
【pro_formula】
C33 H45 N O2
【pro_molWeight】
487.724
【Inchi】
InChI=1S/C33H45NO2/c1-24(2)27-12-14-29-28(22-27)13-15-31-32(4,18-9-19-33(29,31)5)23-34(20-16-25(3)35)21-17-30(36)26-10-7-6-8-11-26/h6-8,10-12,14,22,24,31H,9,13,15-21,23H2,1-5H3/t31-,32-,33+/m0/s1
【InChIKey】
InChIKey=FTRRZOWJRMUNGJ-XFCANUNOSA-N
【SMILES】
CC(C)c1ccc2c(c1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)CN(CCC(=O)C)CCC(=O)c4ccccc4)C
【MOL File】
[1R-(1ALPHA,4ABETA,1….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:3
XLogP3:7.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
[1R-(1ALPHA,4ABETA,10AALPHA)]-4-[[[7-ISOPROPYL-1,2,3,4,4A,9,10,10A-OCTAHYDRO-1,4A-DIMETHYLPHENANTHREN-1-YL]METHYL](3-OXO-3-PHENYLPROPYL)AMINO]BUTAN-2-ONE.cml