C[C@]12CC[C@H](O)CC1C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
Название: (3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,5,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-6,17-dione
SMILES: C[C@]12CC[C@H](O)CC1C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

Molecular Processing

Molecular formula
C19H28O3
Molecular weight
304.43
Exact mass
304.2038
XLogP
3.14
TPSA
54.37
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
22
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
7
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.895
Molar refractivity
83.13

Supplementary Information

InChIKey: HMFQSUMWKTYRNZ-SGLQGMHTSA-N
Синонимы
SCHEMBL43512643beta-hydroxyandrostane-6,17-dione3.beta.-Hydroxy-5.alpha.-androstan-6,17-dione5.alpha.-Androstane-6,17-dione, 3.beta.-hydroxy-3-Hydroxyandrostane-6,17-dione, (3.beta.,5.alpha.)-Androstane-6,17-dione, 3-hydroxy-, (3.beta.,5.alpha.)-
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