Oleandrin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002670
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA002670 contains the MS mass spectrum of Oleandrin with the InChIkey JLPDBLFIVFSOCC-XYXFTTADSA-N.
Source: Oleandrin
Chemical Info
| InChI | InChI=1S/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17-,20+,21-,22-,23+,24-,25-,27-,28-,29-,30-,31+,32-/m0/s1 |
|---|---|
| SMILES | [H]C(C36[H])(C(C5)(O)C(CC6)(C)C(C5OC(C)=O)C(C4)=CC(O4)=O)CCC(C31C)([H])CC(OC(C2)OC(C(O)C(OC)2)C)CC1 |
| InChI Key | JLPDBLFIVFSOCC-XYXFTTADSA-N |
| Molecular Formula | C32H48O9 |
| Exact Mass | 576.330 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 | c6c27aa3-a92d-4c3a-80b4-c433f45451b7 |
| Package id | msbnk-waters-wa002670 |
| Resource type | HTML |
| State | active |