CC1CC2C3CCC4=CC(=O)CCC4(C3=CCC2(C1C(=O)COC(=O)C)C)C
Название: [2-oxo-2-[(10S,13S,16R,17S)-10,13,16-trimethyl-3-oxo-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]ethyl] acetate
SMILES: CC1CC2C3CCC4=CC(=O)CCC4(C3=CCC2(C1C(=O)COC(=O)C)C)C

Molecular Processing

Molecular formula
C24H32O4
Molecular weight
384.52
Exact mass
384.2301
XLogP
4.43
TPSA
60.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
28
Rings
4
Aromatic rings
0
Saturated rings
2
Aliphatic rings
4
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.708
Molar refractivity
106.36

Supplementary Information

InChIKey: IXUGESPAEDDYKG-PYNMROCQSA-N
Синонимы
SCHEMBL2119370IXUGESPAEDDYKG-PYNMROCQSA-N2-oxo-2-((10S,13 S,16R,17S)-10,13,16-trimethyl-3-oxo-2,3,6,7,8,10,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl acetate2-oxo-2-((10S,13S,16R,17S)-10,13,16-trimethyl-3-oxo-2,3,6,7,8,10,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl acetate
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