名称: 4-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-octadecylpentanamide
SMILES:
CCCCCCCCCCCCCCCCCCNC(=O)CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)CMolecular Processing
Molecular formula
C42H77NO2
Molecular weight
628.08
Exact mass
627.5954
XLogP
11.8
TPSA
49.33
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
21
Heavy atoms
45
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
9
Undefined stereo
9
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.976
Molar refractivity
192.18
Supplementary Information
InChIKey: KFZGEKQZHZRNMH-UHFFFAOYSA-N
同義語
SCHEMBL3422849KFZGEKQZHZRNMH-UHFFFAOYSA-N4-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic Acid Octadecylamide
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