Thalsimidine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR301062
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR301062 contains the MS2 mass spectrum of Thalsimidine with the InChIkey CLDCTFPNFRITPI-MUUNZHRXSA-N.
Source: Thalsimidine
Chemical Info
| InChI | InChI=1S/C37H38N2O7/c1-39-15-13-25-33-28(39)17-22-8-11-29(41-2)31(18-22)45-24-9-6-21(7-10-24)16-27-26-20-32(30(42-3)19-23(26)12-14-38-27)46-35(33)37(44-5)36(43-4)34(25)40/h6-11,18-20,28,40H,12-17H2,1-5H3/t28-/m1/s1 |
|---|---|
| SMILES | COC1=C2OC3=CC=C(CC4=NCCC5=CC(OC)=C(OC6=C(OC)C(OC)=C(O)C7=C6[C@@H](CC(C=C1)=C2)N(C)CC7)C=C45)C=C3 |
| InChI Key | CLDCTFPNFRITPI-MUUNZHRXSA-N |
| Molecular Formula | C37H38N2O7 |
| Exact Mass | 622.718 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 | 135fea3c-1983-4874-a839-a0e1b0d9b31b |
| Package id | msbnk-riken-pr301062 |
| Resource type | HTML |
| State | active |