이름: ergosterol
SMILES:
CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12CMolecular Processing
Molecular formula
C28H44O
Molecular weight
396.66
Exact mass
396.3392
XLogP
7.33
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
29
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.786
Molar refractivity
123.48
Supplementary Information
상세 정보 불러오는 중…
10개 반응에 참여→