Name: 17,17-bis(ethylendioxy)-7α-formylandrostane
SMILES:
C[C@]12CCCCC1C[C@@H](C=O)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC13OCCOC12OCCO3Molecular Processing
Molecular formula
C24H36O5
Molecular weight
404.55
Exact mass
404.2563
XLogP
3.94
TPSA
53.99
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
29
Rings
6
Aromatic rings
0
Saturated rings
6
Aliphatic rings
6
Stereo centers
7
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.958
Molar refractivity
105.93
Supplementary Information
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Involved in 1 reactions→