Neosolaniol
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000196
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000196 contains the MS2 mass spectrum of Neosolaniol with the InChIkey TVZHDVCTOCZDNE-WVJYZQHISA-N.
Source: Neosolaniol
Chemical Info
| InChI | InChI=1S/C19H26O8/c1-9-5-13-18(6-12(9)22,7-24-10(2)20)17(4)15(26-11(3)21)14(23)16(27-13)19(17)8-25-19/h5,12-16,22-23H,6-8H2,1-4H3/t12-,13+,14+,15+,16+,17+,18+,19-/m0/s1 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@](C[C@@H]1O)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C |
| InChI Key | TVZHDVCTOCZDNE-WVJYZQHISA-N |
| Molecular Formula | C19H26O8 |
| Exact Mass | 382.163 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-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | 62b5ffa7-5e7b-48a4-a5c2-4e4c9803c2c3 |
| Package id | msbnk-aafc-ac000196 |
| Resource type | HTML |
| State | active |