Isoreserpin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR308888
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR308888 contains the MS2 mass spectrum of Isoreserpin with the InChIkey QEVHRUUCFGRFIF-VPHNHGCZSA-N.
Source: Isoreserpin
Chemical Info
| InChI | InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24+,27-,28+,31+/m1/s1 |
|---|---|
| SMILES | CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC |
| InChI Key | QEVHRUUCFGRFIF-VPHNHGCZSA-N |
| Molecular Formula | C33H40N2O9 |
| Exact Mass | 608.688 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 | e31e4737-aae0-42e1-8439-d8e19a937289 |
| Package id | msbnk-riken-pr308888 |
| Resource type | HTML |
| State | active |