| CAS Number | 201731-19-3 |
| Catalog Number | AG00BEBT(AGN-PC-0QSEW6) |
| Chemical Name | 5-cholesten-3-ol 6-[(7-nitro-2-1,3-benzoxadiazol-4-yl)aMino]caproate |
| 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] 6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoate |
| InChI | InChI=1S/C39H58N4O5/c1-25(2)10-9-11-26(3)30-15-16-31-29-14-13-27-24-28(19-21-38(27,4)32(29)20-22-39(30,31)5)47-35(44)12-7-6-8-23-40-33-17-18-34(43(45)46)37-36(33)41-48-42-37/h13,17-18,25-26,28-32,40H,6-12,14-16,19-24H2,1-5H3/t26-,28+,29+,30-,31+,32+,38+,39-/m1/s1 |
| InChI Key | YZAQIPGLFHPDPI-FIWRCADXSA-N |
| MDL Number | MFCD18428012 |
| Molecular Formula | C39H58N4O5 |
| Molecular Weight | 662.9016 |
| SMILES | [H]N(C1=CC=C([N+]([O-])=O)C2=NON=C12)CCCCCC(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 | 3-hexanoyl-NBD Cholesterol,
201731-19-3,
3-hexanoyl-NBDCholesterol,
CTK8F5056,
C39H58N4O5,
1450AH,
ZINC150338764,
J-013085,
5-cholesten-3-ol 6-[(7-nitro-2-1,3-benzoxadiazol-4-yl)aMino]caproate,
5-Cholesten-3beta-ol 6-[(7-nitro-2-1,3-benzoxadiazol-4-yl)amino]caproate,
(3R,8R,9R,10S,13S,17S)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H -cyclopenta[a]phenanthren-3-yl 6-(7-nitrobenzo[c ][1,2,5]oxadiazol-4-ylamino)hexanoate,
YZAQIPGLFHPDPI-FIWRCADXSA-N,
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