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Chemical structure of Cho-es-Lys

GC90592

Cho-es-Lys

Also known as [(2S)-6-azaniumyl-1-[6-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonyloxy]hexoxy]-1-oxohexan-2-yl]azanium;bis(2,2,2-trifluoroacetate)

A cationic cholesterol derivative

ChemicalCAS1356250-80-0MW887.1FormulaC40H72N2O52CF3COO
CAS number
1356250-80-0
Molecular weight
887.1
Formula
C40H72N2O52CF3COO
Solubility
Ethanol: 2 mg/ml
InChIKey
HYSXWQJEBWEMOE-BNSNMOQGSA-N
Catalogue number
GC90592
Brand
GLPBIO
Computed properties PubChem CID 171042901 · TPSA 197 Ų · H-bond donors 2 · H-bond acceptors 15
TPSA
197 Ų
H-bond donors
2
H-bond acceptors
15
Rotatable bonds
21
Heavy atoms
61

SMILES C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)OCCCCCCOC(=O)[C@H](CCCC[NH3+])[NH3+])C)C.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

Computed descriptors from PubChem (CID 171042901), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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