simvastatin acid

Chemical Formula:

C₂₅H₃₉O₆

Molecular Weight:

435.579 Daltons

Monoisotopic Mass:

436.2824890166 Daltons

SMILES:

CCC(C)(C)C(=O)OC2(CC(C)C=C1(C=CC(C)C(CCC(CC(O)CC([O-])=O)O)[CH]12))

InChI:

1S/C25H40O6/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29/h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29)/p-1/t15-,16-,18+,19+,20-,21-,23-/m0/s1

InChIKey:

XWLXKKNPFMNSFA-HGQWONQESA-M

Synonyms

active simvastatin
mevinolinate

Databases

MetaCyc: CPD66-18

PubChem (CID): 40467347

HMDB: HMDB61047

MetaNetX: MNXM21754