Neriifolin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00218
Dataset description:
This MassBank record with Accession MSBNK-Fiocruz-FIO00218 contains the MS2 mass spectrum of Neriifolin with the InChIkey VPUNMTHWNSJUOG-BAOINKAISA-N.
Source: Neriifolin
Chemical Info
| InChI | InChI=1S/C30H46O8/c1-16-24(32)26(35-4)25(33)27(37-16)38-19-7-10-28(2)18(14-19)5-6-22-21(28)8-11-29(3)20(9-12-30(22,29)34)17-13-23(31)36-15-17/h13,16,18-22,24-27,32-34H,5-12,14-15H2,1-4H3/t16-,18+,19-,20+,21-,22+,24-,25-,26+,27-,28-,29+,30-/m0/s1 |
|---|---|
| SMILES | CO[C@H]([C@@H](O)1)[C@@H]([C@H](O[C@@H](C6)C[C@]([H])([C@](C6)2C)CC[C@]([C@@]43O)([H])[C@@](CC[C@]3(C)[C@@](C(C5)=CC(O5)=O)(CC4)[H])([H])2)O[C@@H](C)1)O |
| InChI Key | VPUNMTHWNSJUOG-BAOINKAISA-N |
| Molecular Formula | C30H46O8 |
| Exact Mass | 534.319 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 4.0 International (CC BY-NC 4.0) |
| Id | 79858d2a-d7f2-4e21-9e9e-aa9fb870713e |
| Package id | msbnk-fiocruz-fio00218 |
| Resource type | HTML |
| State | active |