이름: (3β,5α,11β,12α,25R)-23-bromo-12-(trichloroacetoxy)spirostan-3,11-diol
SMILES:
C[C@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5[C@@H](O)[C@H](OC(=O)C(Cl)(Cl)Cl)[C@]4(C)[C@H]3[C@@H]2C)C(Br)C1Molecular Processing
Molecular formula
C29H42BrCl3O6
Molecular weight
672.91
Exact mass
670.123
XLogP
6.03
TPSA
85.22
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
1
Heavy atoms
39
Rings
6
Aromatic rings
0
Saturated rings
6
Aliphatic rings
6
Stereo centers
15
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.966
Molar refractivity
152.77
Supplementary Information
상세 정보 불러오는 중…
8개 반응에 참여→