Pygenic acid A a
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003200
Dataset description:
This MassBank record with Accession MSBNK-BS-BS003200 contains the MS2 mass spectrum of Pygenic acid A a with the InChIkey HFGSQOYIOKBQOW-RFMFWNHYSA-N.
Source: Pygenic acid A a
Chemical Info
| InChI | InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24-,27+,28-,29-,30+/m1/s1 |
|---|---|
| SMILES | C([C@]1([H])C(C([C@@]2(C(C([C@@]3(C(=C(C([C@@]4([H])[C@]3(C(C([C@]5([H])[C@@]4(C([C@]([H])([C@]([H])(C5(C([H])([H])[H])C([H])([H])[H])O[H])O[H])([H])[H])C([H])([H])[H])([H])[H])([H])[H])C([H])([H])[H])([H])[H])[H])[C@]2([H])[C@@]1([H])C([H])([H])[H])C([H])([H])[H])([H])[H])([H])[H])C(=O)O[H])([H])[H])([H])[H])([H])([H])[H] |
| InChI Key | HFGSQOYIOKBQOW-RFMFWNHYSA-N |
| Molecular Formula | C30H48O4 |
| Exact Mass | 472.355 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 | e67add95-132d-4d3a-9816-920456c7995a |
| Package id | msbnk-bs-bs003200 |
| Resource type | HTML |
| State | active |