الاسم: 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:
CC12CCC(CC1C(=O)CC3C2CCC4(C3CCC4=O)C)OMolecular 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
7
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.895
Molar refractivity
83.13
Supplementary Information
InChIKey: HMFQSUMWKTYRNZ-UHFFFAOYSA-N
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