simvastatin lactone

Chemical Formula:

C₂₅H₃₈O₅

Molecular Weight:

418.572 Daltons

Monoisotopic Mass:

418.2719243303 Daltons

SMILES:

CCC(C)(C)C(=O)OC3(CC(C)C=C2(C=CC(C)C(CCC1(CC(O)CC(=O)O1))[CH]23))

InChI:

1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1

InChIKey:

RYMZZMVNJRMUDD-HGQWONQESA-N

Synonyms

zocor
simvastatin predrug
inactive simvastatin

Databases

MetaCyc: CPD66-17

HMDB: HMDB05007

DRUGBANK: DB00641

ChemSpider: 49179

KEGG: D00434

ChEBI: 9150

PubChem (CID): 54454

RefMet: Simvastatin

Seed: cpd26601

MetaNetX: MNXM21753