Molecular properties
- Formula
- C25H38O5
- Molar mass
- 418.57 g·mol−1
- Exact mass
- 418.2719 Da
- 7
- PubChem CID
- 54454
Molecule record
[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
C25H38O5
418.57 g/mol
Loading structure
Functional groups
Alcohol
Alkane / alkyl carbon
Alkene
Ester
Ether
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 79902-63-9
- Cholestat
- Colemin
- DTXSID0023581
- Denan
- Labistatin
- Lipex
- Lodales
Show all 24 synonyms
- MK-0733
- MK-733
- Medipo
- Nivelipol
- Rechol
- Simovil
- Simvastatina
- Simvastatine
- Simvastatinum
- Simvastatinum [Latin]
- Sinvacor
- Sivastin
- Synvinolin
- Velostatin
- Zocor
- simvastatin
Structure identifiers
- Canonical SMILES
- CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21
- Isomeric SMILES
- CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C
- InChI
- 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
- PubChem CID
- 54454
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.