Name: [(7S,8R,9S,13S,14S)-3-acetyloxy-2-iodo-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-7-yl] acetate
SMILES:
CC(=O)OC1CC2=CC(=C(C=C2C3C1C4CCC(=O)C4(CC3)C)I)OC(=O)CMolecular Processing
Molecular formula
C22H25IO5
Molecular weight
496.34
Exact mass
496.0747
XLogP
4.18
TPSA
69.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
28
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.591
Molar refractivity
111.03
Supplementary Information
InChIKey: XOHJEZJRWAHNTR-FVORTZEZSA-N
Synonyme
SCHEMBL4588346XOHJEZJRWAHNTR-FVORTZEZSA-N3,7beta-diacetoxy-2-iodo-estra-1,3,5(10)-trien-17-one
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