CCOC(=O)C1=CC=C(C=C1)CCCC(CCCC(CCCC(C)(C)C)OC(=O)C)(C(=O)C)C(=O)OC(C)(C)C
이름: ethyl 4-[4-acetyl-8-acetyloxy-12,12-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]tridecyl]benzoate
SMILES: CCOC(=O)C1=CC=C(C=C1)CCCC(CCCC(CCCC(C)(C)C)OC(=O)C)(C(=O)C)C(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C33H52O7
Molecular weight
560.77
Exact mass
560.3713
XLogP
7.42
TPSA
95.97
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
16
Heavy atoms
40
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.697
Molar refractivity
157.01

Supplementary Information

InChIKey: FFGHDSNQBOOJDT-UHFFFAOYSA-N
동의어
SCHEMBL11548087FFGHDSNQBOOJDT-UHFFFAOYSA-Nethyl 4-(4-acetyl-4-tert-butoxycarbonyl-8-acetoxy-12,12-dimethyltridecyl)-benzoateethyl 4-(4-acetyl-4-tert-butoxycarbonyl-8-acetoxy-12,12-dimethyltridecyl)benzoate
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