CCC1C=C(CC(CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC1=O)O[Si](C)(C)C(C)(C)C)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC)C)C
Name: 14-[tert-butyl(dimethyl)silyl]oxy-17-ethyl-1-hydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
SMILES: CCC1C=C(CC(CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC1=O)O[Si](C)(C)C(C)(C)C)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC)C)C

Molecular Processing

Molecular formula
C49H83NO12Si
Molecular weight
906.28
Exact mass
905.5685
XLogP
7.5
TPSA
167.36
H-bond donors
2
H-bond acceptors
12
Rotatable bonds
8
Heavy atoms
63
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
14
Undefined stereo
14
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.837
Molar refractivity
244.13

Supplementary Information

InChIKey: WYEYAHGOBLVJBV-UHFFFAOYSA-N
Synonyms
WYEYAHGOBLVJBV-UHFFFAOYSA-N17-Ethyl-1-hydroxy-12-[2'-(4"-hydroxy-3"-methoxycyclohexyl)-1'-methylvinyl]-14-t-butyl-dimethylsilyloxy-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone17-ethyl-1-hydroxy-14-(tert-butyldimethylsiloxy)-12-[2'-(4"-hydroxy-3"-methoxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4 -azatricyclo [22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone17-Ethyl-1-hydroxy-14-(tert-butyldimethylsiloxy)-12-[2'-(4"-hydroxy-3"-methoxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo [22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone17-ethyl-1-hydroxy-14-(tert-butyldimethylsiloxy)-12-[2'-(4"-hydroxy-3"-methoxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone
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