이름: (1R,2S,3S,5S,7S,10S,11R,14S,18R)-18-hydroxy-7,11-dimethyl-14-tribenzylsilyloxypentacyclo[8.8.0.02,7.03,5.011,16]octadec-16-en-6-one
SMILES:
CC12CCC(CC1=CC(C3C2CCC4(C3C5CC5C4=O)C)O)O[Si](CC6=CC=CC=C6)(CC7=CC=CC=C7)CC8=CC=CC=C8Molecular Processing
Molecular formula
C41H48O3Si
Molecular weight
616.92
Exact mass
616.3373
XLogP
8.02
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
45
Rings
8
Aromatic rings
3
Saturated rings
4
Aliphatic rings
5
Stereo centers
9
Undefined stereo
9
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.488
Molar refractivity
181.53
Supplementary Information
InChIKey: LBGHDFYFNQXMRU-GGTVRORQSA-N
동의어
SCHEMBL10892033LBGHDFYFNQXMRU-GGTVRORQSA-N3beta-tribenzylsilyloxy-7beta-hydroxy-15beta,16beta-methylene-5-androsten-17-one
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