名称: (1S,2R,5S,9S,12R,15R,16R)-2,16-dimethyl-15-[(2R)-6-methylheptan-2-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-10-en-5-ol
SMILES:
CC(C)CCCC(C)C1CCC2C1(CCC3C2=CC4C5(C3(CCC(C5)O)C)O4)CMolecular Processing
Molecular formula
C27H44O2
Molecular weight
400.65
Exact mass
400.3341
XLogP
6.52
TPSA
32.76
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
29
Rings
5
Aromatic rings
0
Saturated rings
4
Aliphatic rings
5
Stereo centers
9
Undefined stereo
9
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.926
Molar refractivity
118.55
Supplementary Information
InChIKey: HQJPDAPYXZGRSF-UVYIZEANSA-N
同義語
SCHEMBL1312813HQJPDAPYXZGRSF-UVYIZEANSA-N5,6alpha-epoxicholest-7-en-3beta-ol
5 件の反応に参加→