Bayogenin base + O-HexA
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR308905
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR308905 contains the MS2 mass spectrum of Bayogenin base + O-HexA with the InChIkey GMMCESHTNIUAQD-UHFFFAOYSA-N.
Source: Bayogenin base + O-HexA
Chemical Info
| InChI | InChI=1S/C38H60O11/c1-20(40)47-18-24-27(42)28(43)29(44)31(48-24)49-30-23(41)17-34(4)25(35(30,5)19-39)10-11-37(7)26(34)9-8-21-22-16-33(2,3)12-14-38(22,32(45)46)15-13-36(21,37)6/h8,22-31,39,41-44H,9-19H2,1-7H3,(H,45,46) |
|---|---|
| SMILES | CC(=O)OCC1OC(OC2C(O)CC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(CCC43C)C(O)=O)C2(C)CO)C(O)C(O)C1O |
| InChI Key | GMMCESHTNIUAQD-UHFFFAOYSA-N |
| Molecular Formula | C38H60O11 |
| Exact Mass | 692.887 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 | 3ca80986-96ad-4c9f-b4d0-508f786594d5 |
| Package id | msbnk-riken-pr308905 |
| Resource type | HTML |
| State | active |