Medicagenic acid base + O-Hex-Malonylate
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR310659
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR310659 contains the MS2 mass spectrum of Medicagenic acid base + O-Hex-Malonylate with the InChIkey JTKJAIJNMZCGNN-UHFFFAOYSA-N.
Chemical Info
| InChI | InChI=1S/C39H58O14/c1-34(2)11-13-39(32(48)49)14-12-36(4)19(20(39)16-34)7-8-23-35(3)17-21(40)30(47)38(6,24(35)9-10-37(23,36)5)33(50)53-31-29(46)28(45)27(44)22(52-31)18-51-26(43)15-25(41)42/h7,20-24,27-31,40,44-47H,8-18H2,1-6H3,(H,41,42)(H,48,49) |
|---|---|
| SMILES | CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C5CCC34C)C(=O)OC3OC(COC(=O)CC(O)=O)C(O)C(O)C3O)C2C1)C(O)=O |
| InChI Key | JTKJAIJNMZCGNN-UHFFFAOYSA-N |
| Molecular Formula | C39H58O14 |
| Exact Mass | 750.879 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 | 67725b69-c337-4fff-a110-47dda3e95faa |
| Package id | msbnk-riken-pr310659 |
| Resource type | HTML |
| State | active |