CCC1CC2C3CCC4=CC(=O)CCC4C3CCC2(C1OC(=O)CO)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-hydroxyacetate
SMILES: CCC1CC2C3CCC4=CC(=O)CCC4C3CCC2(C1OC(=O)CO)C

Molecular Processing

Molecular formula
C22H32O4
Molecular weight
360.49
Exact mass
360.2301
XLogP
3.67
TPSA
63.6
H-bond donors
1
H-bond acceptors
4
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
98.22

Supplementary Information

InChIKey: JHGMSUCTFPHGDP-JOBVFTDHSA-N
Синонимы
SCHEMBL10889253JHGMSUCTFPHGDP-JOBVFTDHSA-N16beta-Ethyl-17beta-glycoloyloxy-4-estren-3-one
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