CC(=O)OC1CCC2(C3CCC4(C(C3C(=O)CC2C1)CCC4=O)C)C
الاسم: [(3S,8R,9S,10S,13S,14S)-10,13-dimethyl-7,17-dioxo-2,3,4,5,6,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SMILES: CC(=O)OC1CCC2(C3CCC4(C(C3C(=O)CC2C1)CCC4=O)C)C

Molecular Processing

Molecular formula
C21H30O4
Molecular weight
346.47
Exact mass
346.2144
XLogP
3.71
TPSA
60.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
25
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
7
Undefined stereo
7
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
92.68

Supplementary Information

InChIKey: OPILDTWOQIIZJT-JIDKQBQLSA-N
مرادفات
SCHEMBL4347809OPILDTWOQIIZJT-JIDKQBQLSA-N3beta-acetoxyandrostane-7,17-dione
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