CCC1CC2C3CCC4=CC(=O)CCC4C3CCC2(C1OC(=O)CBr)C
Название: [(8R,9S,10R,13S,14S,16S,17S)-16-ethyl-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] 2-bromoacetate
SMILES: CCC1CC2C3CCC4=CC(=O)CCC4C3CCC2(C1OC(=O)CBr)C

Molecular Processing

Molecular formula
C22H31BrO3
Molecular weight
423.39
Exact mass
422.1457
XLogP
5.07
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
26
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
7
Undefined stereo
7
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.818
Molar refractivity
104.93

Supplementary Information

InChIKey: AZLWJGQCAWEGEW-JOBVFTDHSA-N
Синонимы
SCHEMBL10892048AZLWJGQCAWEGEW-JOBVFTDHSA-N16beta-Ethyl-17beta-bromoacetoxy-4-estren-3-one
Источник →
Участвует в 27 реакциях→

Расширенный поиск

Поиск подструктуры→Поиск по сходству→