Acetylaconitine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR310654
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR310654 contains the MS2 mass spectrum of Acetylaconitine with the InChIkey RIPYIJVYDYCPKW-UHFFFAOYSA-N.
Source: Acetylaconitine
Chemical Info
| InChI | InChI=1S/C36H49NO12/c1-8-37-16-33(17-43-4)22(47-18(2)38)14-23(44-5)35-21-15-34(42)30(48-32(41)20-12-10-9-11-13-20)24(21)36(49-19(3)39,29(40)31(34)46-7)25(28(35)37)26(45-6)27(33)35/h9-13,21-31,40,42H,8,14-17H2,1-7H3 |
|---|---|
| SMILES | CCN1CC2(COC)C3C(OC)C4C1C3(C1CC3(O)C(OC(=O)C5=CC=CC=C5)C1C4(OC(C)=O)C(O)C3OC)C(CC2OC(C)=O)OC |
| InChI Key | RIPYIJVYDYCPKW-UHFFFAOYSA-N |
| Molecular Formula | C36H49NO12 |
| Exact Mass | 687.783 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 | f5b796da-6ca2-45db-b324-4727bfac3ef5 |
| Package id | msbnk-riken-pr310654 |
| Resource type | HTML |
| State | active |