| Description |
(βR,δR,1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-Hexahydro-β,δ-dihydroxy-2,6-dimethyl-8-(2-methyl-1-oxobutoxy)-1-naphthaleneheptanoic acid-[d3] sodium salt is a labelled metabolite of Lovastatin. Lovastatin is a fungal metabolite and an inhibitor of HMG-CoA reductase. Lovastatin is an antihypercholesterolemic agent. |
| Synonyms |
Sodium (3R,5R)-7-((1S,2S,6R,8S,8aR)-2,6-dimethyl-8-((2-(methyl-d3)butanoyl)oxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)-3,5-dihydroxyheptanoate; (3R,5R)-7-[(1S,2S,6R,8S,8aR)-2,6-Dimethyl-8-(2-methylbutanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid-d3 sodium salt |
| IUPAC Name |
sodium;(3R,5R)-7-[(1S,2S,6R,8S,8aR)-2,6-dimethyl-8-[2-(trideuteriomethyl)butanoyloxy]-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate |
| Related CAS |
314729-27-6 (unlabelled free acid) 1217600-32-2 (free acid)
|
| Canonical SMILES |
[2H]C([2H])([2H])C(CC)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)[O-])O)O)C.[Na+] |
| InChI |
InChI=1S/C24H38O6.Na/c1-5-15(3)24(29)30-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-18(25)12-19(26)13-22(27)28;/h6-7,10,14-16,18-21,23,25-26H,5,8-9,11-13H2,1-4H3,(H,27,28);/q;+1/p-1/t14-,15?,16-,18+,19+,20-,21-,23-;/m0./s1/i3D3; |
| InChI Key |
LXZBFUBRYYVRQJ-QRVNCVFZSA-M |
| Melting Point |
179-188°C (dec.) |
| Purity |
98% by CP; 98% atom D |
| Solubility |
Soluble in Chloroform (Slightly), Methanol (Slightly) |
| Appearance |
White to Beige Solid |
| Storage |
Store at-20°C |
![(βR,δR,1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-Hexahydro-β,δ-dihydroxy-2,6-dimethyl-8-(2-methyl-1-oxobutoxy)-1-naphthaleneheptanoic acid-[d3] sodium salt](https://resource.bocsci.com/structure/1217528-38-5.gif)
