CAS: 79902-63-9
이름: [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
SMILES:
CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)CMolecular Processing
Molecular formula
C25H38O5
Molecular weight
418.57
Exact mass
418.2719
XLogP
4.59
TPSA
72.83
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
30
Rings
3
Aromatic rings
0
Saturated rings
1
Aliphatic rings
3
Stereo centers
7
Undefined stereo
7
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.76
Molar refractivity
115.45
Supplementary Information
InChIKey: RYMZZMVNJRMUDD-HGQWONQESA-N
동의어
simvastatin79902-63-9ZocorSynvinolinMK-733SinvacorDenanLipexSimvastatineSivastinLodalesCholestatSimvastatinaColeminMedipoSimovilLabistatinSimvastatinumVelostatinNivelipolRechol(1S,3R,7S,8S,8aR)-8-(2-((2R,4R)-4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoateMK-0733Simvastatinum [Latin]DTXSID0023581AGG2FN16EVMK7332,2-Dimethylbutyric acid, 8-ester with (4R,6R)-6-(2-((1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthyl)ethyl)tetrahydro-4-hydroxy-2H-pyran-2-oneMK 733NSC-758706
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