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3-NBD-C12 Cholesterol | CAS 186833-02-3

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Product Introduction

3-NBD-C12 Cholesterol is a fluorescent probe for labeling phospholipid.

IUPAC Name	[(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] 12-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoate
Canonical SMILES	CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCCCCCCCCCCN(C)C5=CC=C(C6=NON=C56)[N+](=O)[O-])C)C
InChI	InChI=1S/C46H72N4O5/c1-32(2)17-16-18-33(3)37-22-23-38-36-21-20-34-31-35(26-28-45(34,4)39(36)27-29-46(37,38)5)54-42(51)19-14-12-10-8-7-9-11-13-15-30-49(6)40-24-25-41(50(52)53)44-43(40)47-55-48-44/h20,24-25,32-33,35-39H,7-19,21-23,26-31H2,1-6H3/t33-,35+,36+,37-,38+,39+,45+,46-/m1/s1
InChIKey	MKEQHMRXIADXQQ-KLHFYLHASA-N
Appearance	Solid Powder

Excitation	465 nm
Emission	536 nm

XLogP3	14.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	20
Exact Mass	760.55027141 g/mol
Monoisotopic Mass	760.55027141 g/mol
Topological Polar Surface Area	114Å²
Heavy Atom Count	55
Formal Charge	0
Complexity	1290
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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