| CAS Number | 82266-85-1 |
| Catalog Number | AG00G3OO(AGN-PC-0ULP1P) |
| Chemical Name | (6aR,7R,9aR)-11-((3S,5R)-3,5-dihydroxy-2-Methylcyclohex-1-en-1-yl)-6a-Methyl-7-((R)-6-Methylheptan-2-yl)-2-phenyl-4a,5,6,6a,7,8,9,9a-octahydrocyclopenta[f][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H,11H)-dione |
| IUPAC Name | (10R,13R,14R)-7-[(3S,5R)-3,5-dihydroxy-2-methylcyclohexen-1-yl]-14-methyl-13-[(2R)-6-methylheptan-2-yl]-4-phenyl-2,4,6-triazatetracyclo[7.7.0.02,6.010,14]hexadec-8-ene-3,5-dione |
| InChI | InChI=1S/C35H49N3O4/c1-21(2)10-9-11-22(3)28-14-15-29-27-20-31(26-18-25(39)19-32(40)23(26)4)38-34(42)36(24-12-7-6-8-13-24)33(41)37(38)30(27)16-17-35(28,29)5/h6-8,12-13,20-22,25,28-32,39-40H,9-11,14-19H2,1-5H3/t22-,25-,28-,29+,30?,31?,32+,35-/m1/s1 |
| InChI Key | PTIHYNIKYFVMFI-UURGVQEHSA-N |
| MDL Number | MFCD22124488 |
| Molecular Formula | C35H49N3O4 |
| Molecular Weight | 575.7813 |
| SMILES | O=C1N2N([C@]3(C(=C[C@H]2C4=C(C)[C@@H](O)C[C@@H](O)C4)[C@]5([C@](C)(CC3)[C@@]([C@@H](CCCC(C)C)C)(CC5)[H])[H])[H])C(=O)N1C6=CC=CC=C6 |
| Synonyms | Impurity C of Alfacalcidol,
82266-85-1,
DTXSID50856150,
CS-1178,
HY-13294,
(6aR,7R,9aR)-11-[(3S,5R)-3,5-Dihydroxy-2-methylcyclohex-1-en-1-yl]-6a-methyl-7-(6-methylheptan-2-yl)-2-phenyl-5,6,6a,7,8,9,9a,11-octahydro-1H,4aH-cyclopenta[f][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H)-d,
ione,
|