Demissidine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00044
Dataset description:
This MassBank record with Accession MSBNK-Fiocruz-FIO00044 contains the MS2 mass spectrum of Demissidine with the InChIkey JALVTHFTYRPDMB-HRRTYWNUSA-N.
Source: Demissidine
Chemical Info
| InChI | InChI=1S/C27H45NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-25,29H,5-15H2,1-4H3/t16-,17+,18-,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1 |
|---|---|
| SMILES | C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C)C |
| InChI Key | JALVTHFTYRPDMB-HRRTYWNUSA-N |
| Molecular Formula | C27H45NO |
| Exact Mass | 399.350 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 | 551c513a-bcba-4875-8dc9-b983dfae469e |
| Package id | msbnk-fiocruz-fio00044 |
| Resource type | HTML |
| State | active |