Isohernandezine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR301180
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR301180 contains the MS2 mass spectrum of Isohernandezine with the InChIkey FUZMQNZACIFDBL-IHLOFXLRSA-N.
Source: Isohernandezine
Chemical Info
| InChI | InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30+/m1/s1 |
|---|---|
| SMILES | COC1=C2OC3=CC=C(C[C@H]4N(C)CCC5=CC(OC)=C(OC6=C(OC)C(OC)=C(OC)C7=C6[C@H](CC(C=C1)=C2)N(C)CC7)C=C45)C=C3 |
| InChI Key | FUZMQNZACIFDBL-IHLOFXLRSA-N |
| Molecular Formula | C39H44N2O7 |
| Exact Mass | 652.788 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 | 1d1ff67e-ca8e-4a99-bd21-1774351f5048 |
| Package id | msbnk-riken-pr301180 |
| Resource type | HTML |
| State | active |