Anthranoyllycoctonine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR300906
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR300906 contains the MS2 mass spectrum of Anthranoyllycoctonine with the InChIkey NNDHDYDFEDRMGH-CAEIVAEBSA-N.
Source: Anthranoyllycoctonine
Chemical Info
| InChI | InChI=1S/C32H46N2O8/c1-6-34-15-29(16-42-27(35)17-9-7-8-10-20(17)33)12-11-22(39-3)31-19-13-18-21(38-2)14-30(36,23(19)24(18)40-4)32(37,28(31)34)26(41-5)25(29)31/h7-10,18-19,21-26,28,36-37H,6,11-16,33H2,1-5H3/t18-,19-,21+,22+,23-,24+,25-,26+,28?,29+,30-,31+,32-/m1/s1 |
|---|---|
| SMILES | CCN1C[C@]2(COC(=O)C3=CC=CC=C3N)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)C14 |
| InChI Key | NNDHDYDFEDRMGH-CAEIVAEBSA-N |
| Molecular Formula | C32H46N2O8 |
| Exact Mass | 586.726 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 | 27e1e3c3-8bad-4fa5-aafc-0490e8f3686c |
| Package id | msbnk-riken-pr300906 |
| Resource type | HTML |
| State | active |