Guan-fu base Y
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR301234
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR301234 contains the MS2 mass spectrum of Guan-fu base Y with the InChIkey XGTNTUKODZZCGL-LFXJTNOVSA-N.
Source: Guan-fu base Y
Chemical Info
| InChI | InChI=1S/C22H29NO5/c1-9-4-20-7-12-15-19(3)5-11(28-10(2)24)6-21(15)16(20)14(25)13(9)17(26)22(20,27)18(21)23(12)8-19/h11-18,25-27H,1,4-8H2,2-3H3/t11?,12-,13+,14?,15+,16+,17?,18?,19-,20?,21-,22-/m0/s1 |
|---|---|
| SMILES | CC(=O)OC1C[C@@]2(C)CN3[C@H]4CC56CC(=C)[C@@H]7C(O)[C@H]5[C@](C1)([C@@H]24)C3[C@@]6(O)C7O |
| InChI Key | XGTNTUKODZZCGL-LFXJTNOVSA-N |
| Molecular Formula | C22H29NO5 |
| Exact Mass | 387.476 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 | 17023599-d516-4f79-8512-8ca5a89f3157 |
| Package id | msbnk-riken-pr301234 |
| Resource type | HTML |
| State | active |