Catalog Number:
AG009B32
Chemical Name:
7-KETOCHOLESTEROL-25,26,26,26,27,27,27-D7
CAS Number:
127684-08-6
Molecular Formula:
C27H37D7O2
Molecular Weight:
407.6802
MDL Number:
MFCD06658677
IUPAC Name:
(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
InChI:
InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1/i1D3,2D3,17D
InChI Key:
YIKKMWSQVKJCOP-KVZGVLACSA-N
SMILES:
O[C@H]1CC[C@]2(C(=CC(=O)[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(C([2H])([2H])[2H])(C([2H])([2H])[2H])[2H])C)C)C1)C
