Name: 17-ethynyl-17-hydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
SMILES:
CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)C=CC34CMolecular Processing
Molecular formula
C21H26O2
Molecular weight
310.44
Exact mass
310.1933
XLogP
3.66
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
23
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
90.4
Supplementary Information
InChIKey: DPFJWSXDCNAYDI-UHFFFAOYSA-N
View source →Involved in 2 reactions→