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Chemical structure of 3-hexanoyl-NBD Cholesterol

GC42273

3-hexanoyl-NBD Cholesterol

Also known as [(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] 6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoate

3-hexanoyl-NBD cholesterol is a fluorescently-tagged cholesterol derivative with the hydrophilic NBD fluorophore attached to carbon 3, at the hydrophilic end of cholesterol, separated by a 6-carbon spacer

ChemicalCAS201731-19-3MW662.9FormulaC39H58N4O5
CAS number
201731-19-3
Molecular weight
662.9
Formula
C39H58N4O5
Solubility
DMF： 1 mg/ml,DMSO： 0·25 mg/ml,Ethanol： 1 mg/ml
InChIKey
YZAQIPGLFHPDPI-FIWRCADXSA-N
Catalogue number
GC42273
Brand
GLPBIO
Computed properties PubChem CID 57370056 · XLogP 10.9 · TPSA 123 Ų · H-bond donors 1
XLogP
10.9
TPSA
123 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
14
Heavy atoms
48

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)CCCCCNC5=CC=C(C6=NON=C56)[N+](=O)[O-])C)C

Computed descriptors from PubChem (CID 57370056), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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