O-Acetylsolasodine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR300808
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR300808 contains the MS2 mass spectrum of O-Acetylsolasodine with the InChIkey MCQNPWNREVNWDQ-UHFFFAOYSA-N.
Source: O-Acetylsolasodine
Chemical Info
| InChI | InChI=1S/C29H45NO3/c1-17-8-13-29(30-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)31)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26,30H,7-16H2,1-5H3 |
|---|---|
| SMILES | CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC(C)=O)OC11CCC(C)CN1 |
| InChI Key | MCQNPWNREVNWDQ-UHFFFAOYSA-N |
| Molecular Formula | C29H45NO3 |
| Exact Mass | 455.683 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-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | c612f938-fcd6-449e-b882-8ddfcbbc699d |
| Package id | msbnk-riken-pr300808 |
| Resource type | HTML |
| State | active |