Poststerone
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_NPDepo-NGA02092
Dataset description:
This MassBank record with Accession MSBNK-RIKEN_NPDepo-NGA02092 contains the MS2 mass spectrum of Poststerone with the InChIkey VNLQNGYIXVTQRR-BLMSIPRSSA-N.
Source: Poststerone; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
Chemical Info
| InChI | InChI=1S/C21H30O5/c1-11(22)12-5-7-21(26)14-8-16(23)15-9-17(24)18(25)10-19(15,2)13(14)4-6-20(12,21)3/h8,12-13,15,17-18,24-26H,4-7,9-10H2,1-3H3/t12?,13?,15?,17?,18?,19-,20-,21-/m1/s1 |
|---|---|
| SMILES | CC(=O)C1CC[C@@]2(O)C3=CC(=O)C4CC(O)C(O)C[C@]4(C)C3CC[C@]12C |
| InChI Key | VNLQNGYIXVTQRR-BLMSIPRSSA-N |
| Exact Mass | 362.470 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 4.0 International (CC BY 4.0) |
| Id | 2a614b3f-d83d-47ec-b4e5-47cafa8fc764 |
| Package id | msbnk-riken_npdepo-nga02092 |
| Resource type | HTML |
| State | active |