C=C1C[C@H]2[C@@H]3CC45OCCOC4(OCCO5)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCCC[C@]12O
Name: 17,17-bis(ethylendioxy)-5α-hydroxy-6-methyleneandrostane
SMILES: C=C1C[C@H]2[C@@H]3CC45OCCOC4(OCCO5)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCCC[C@]12O

Molecular Processing

Molecular formula
C24H36O5
Molecular weight
404.55
Exact mass
404.2563
XLogP
3.8
TPSA
57.15
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
0
Heavy atoms
29
Rings
6
Aromatic rings
0
Saturated rings
6
Aliphatic rings
6
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.917
Molar refractivity
106.98

Supplementary Information

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