Orlistat
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU236201
Dataset description:
This MassBank record with Accession MSBNK-Athens_Univ-AU236201 contains the MS2 mass spectrum of Orlistat with the InChIkey AHLBNYSZXLDEJQ-FWEHEUNISA-N.
Source: Orlistat
Chemical Info
| InChI | InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1 |
|---|---|
| SMILES | CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |
| InChI Key | AHLBNYSZXLDEJQ-FWEHEUNISA-N |
| Molecular Formula | C29H53NO5 |
| Exact Mass | 495.392 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution 4.0 International (CC BY 4.0) |
| Id | 5060fdaa-b6ed-4824-94f7-07fc71cf20c2 |
| Package id | msbnk-athens_univ-au236201 |
| Resource type | HTML |
| State | active |