Название: (8R,9S,10R,13S,14S)-10,13-dimethyl-6-methylidene-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
SMILES:
CC12CCC(=O)CC1C(=C)CC3C2CCC4(C3CCC4=O)CMolecular Processing
Molecular formula
C20H28O2
Molecular weight
300.44
Exact mass
300.2089
XLogP
4.33
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
22
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
86.26
Supplementary Information
InChIKey: QYRHBSKUWKINIQ-UJMIGGCMSA-N
Синонимы
SCHEMBL2791535QYRHBSKUWKINIQ-UJMIGGCMSA-N6-Methyleneandrostane-3,17-dione
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