名称: (3β,5α,11β,25R)-11-bromospirostan-3-ol-12-one
SMILES:
C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4[C@@H](Br)C(=O)[C@]3(C)[C@H]1[C@@H]2CMolecular Processing
Molecular formula
C27H41BrO4
Molecular weight
509.53
Exact mass
508.2188
XLogP
5.35
TPSA
55.76
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
32
Rings
6
Aromatic rings
0
Saturated rings
6
Aliphatic rings
6
Stereo centers
13
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.963
Molar refractivity
126.21
Supplementary Information
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