Germinaline
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR305079
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR305079 contains the MS2 mass spectrum of Germinaline with the InChIkey CPINTEKYWNYXNP-UHFFFAOYSA-N.
Source: Germinaline
Chemical Info
| InChI | InChI=1S/C39H61NO13/c1-9-19(3)32(44)52-31-29(43)28-22(17-40-16-18(2)10-11-26(40)36(28,8)47)23-15-37-30(38(23,31)48)24(42)14-25-34(37,6)13-12-27(39(25,49)53-37)51-33(45)35(7,46)20(4)50-21(5)41/h18-20,22-31,42-43,46-49H,9-17H2,1-8H3 |
|---|---|
| SMILES | CCC(C)C(=O)OC1C(O)C2C(CN3CC(C)CCC3C2(C)O)C2CC34OC5(O)C(CC(O)C3C12O)C4(C)CCC5OC(=O)C(C)(O)C(C)OC(C)=O |
| InChI Key | CPINTEKYWNYXNP-UHFFFAOYSA-N |
| Molecular Formula | C39H61NO13 |
| Exact Mass | 751.911 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 | 1ac96efd-0465-4981-9850-11c1d86b60fa |
| Package id | msbnk-riken-pr305079 |
| Resource type | HTML |
| State | active |