| CAS Number | 1246303-05-8 |
| Catalog Number | AG009BQ9(AGN-PC-0WP1UW) |
| Chemical Name | 3-dodecanoyl-NBD Cholesterol |
| 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-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoate |
| InChI | InChI=1S/C45H70N4O5/c1-31(2)16-15-17-32(3)36-21-22-37-35-20-19-33-30-34(25-27-44(33,4)38(35)26-28-45(36,37)5)53-41(50)18-13-11-9-7-6-8-10-12-14-29-46-39-23-24-40(49(51)52)43-42(39)47-54-48-43/h19,23-24,31-32,34-38,46H,6-18,20-22,25-30H2,1-5H3/t32-,34+,35+,36-,37+,38+,44+,45-/m1/s1 |
| InChI Key | TXCIESALPKGCNM-QNKNOTAZSA-N |
| MDL Number | MFCD18428011 |
| Molecular Formula | C46H72N4O5 |
| Molecular Weight | 761.0877 |
| SMILES | [H]N(C1=CC=C([N+]([O-])=O)C2=NON=C12)CCCCCCCCCCCCC(O[C@H](C3)CC[C@@]4(C)C3=CC[C@]5([H])[C@]4([H])CC[C@@]6(C)[C@@]5([H])CC[C@]6([H])[C@@](C)([H])CCCC(C)C)=O |
| Synonyms | 1246303-05-8,
C45H70N4O5,
1449AH,
ZINC97972496,
J-005103,
5-Cholesten-3beta-ol 12-[(7-nitro-2-1,3-benzoxadiazol-4-yl)amino]dodecanoate,
3-dodecanoyl-NBD Cholesterol,
TXCIESALPKGCNM-QNKNOTAZSA-N,
|