Pseudojervine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR300979
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR300979 contains the MS2 mass spectrum of Pseudojervine with the InChIkey HYDDDNUKNMMWBD-WJWSUNTISA-N.
Source: Pseudojervine
Chemical Info
| InChI | InChI=1S/C33H49NO8/c1-15-11-22-26(34-13-15)17(3)33(42-22)10-8-20-21-6-5-18-12-19(40-31-30(39)29(38)27(36)23(14-35)41-31)7-9-32(18,4)25(21)28(37)24(20)16(33)2/h5,15,17,19-23,25-27,29-31,34-36,38-39H,6-14H2,1-4H3/t15?,17?,19-,20?,21?,22+,23?,25?,26-,27+,29?,30?,31+,32?,33-/m0/s1 |
|---|---|
| SMILES | CC1[C@@H]2NCC(C)C[C@H]2O[C@]11CCC2C3CC=C4C[C@H](CCC4(C)C3C(=O)C2=C1C)O[C@@H]1OC(CO)[C@@H](O)C(O)C1O |
| InChI Key | HYDDDNUKNMMWBD-WJWSUNTISA-N |
| Molecular Formula | C33H49NO8 |
| Exact Mass | 587.754 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 | ce059643-92d9-4417-bd03-2fdeeea729df |
| Package id | msbnk-riken-pr300979 |
| Resource type | HTML |
| State | active |