Cephaeline
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR300715
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR300715 contains the MS2 mass spectrum of Cephaeline with the InChIkey DTGZHCFJNDAHEN-OZEXIGSWSA-N.
Source: Cephaeline
Chemical Info
| InChI | InChI=1S/C28H38N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3/t17-,20-,23+,24-/m0/s1 |
|---|---|
| SMILES | CC[C@H]1CN2CCC3=CC(OC)=C(OC)C=C3[C@@H]2C[C@@H]1C[C@H]1NCCC2=CC(O)=C(OC)C=C12 |
| InChI Key | DTGZHCFJNDAHEN-OZEXIGSWSA-N |
| Molecular Formula | C28H38N2O4 |
| Exact Mass | 466.622 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 | 0a452c93-b361-47bf-8e21-4199a2904f0a |
| Package id | msbnk-riken-pr300715 |
| Resource type | HTML |
| State | active |