| SpectraBase Spectrum ID |
6CicpdtoZl2 |
| Name |
Simvastatin-A (-H2O) |
| Classification |
Pharmaceutical drug, anti-hyperlipidemic |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
400.261359635 u |
| Formula |
C25H36O4 |
| InChI |
InChI=1S/C25H36O4/c1-6-25(4,5)24(27)29-21-15-16(2)14-18-11-10-17(3)20(23(18)21)13-12-19-8-7-9-22(26)28-19/h7-8,10-11,14,16-17,19-21,23H,6,9,12-13,15H2,1-5H3/t16-,17-,19-,20-,21-,23-/m0/s1 |
| InChIKey |
IRRITNIYWGHZAJ-RLSQPJRHSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
400.559 g/mol |
| Nominal Mass |
400 u |
| Quality |
997 |
| Retention Index |
2987 |
| SMILES |
[C@]12([C@@](OC(C(CC)(C)C)=O)(C[C@](C=C2C=C[C@@]([C@@]1(CC[C@]1(OC(CC=C1)=O)[H])[H])(C)[H])(C)[H])[H])[H] |
| SPLASH |
splash10-0596-4900000000-19368496d5f2e0ed66d2 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(1S,3R,7S,8S,8aR)-3,7-dimethyl-8-(2-((2R)-6-oxo-5,6-dihydro-2H-pyran-2-yl)ethyl)-1,2,3,7,8,8a-\rhexahydronaphthalen-1-yl 2,2-dimethylbutanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003901 |
