Pygenic acid B b
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003144
Dataset description:
This MassBank record with Accession MSBNK-BS-BS003144 contains the MS2 mass spectrum of Pygenic acid B b with the InChIkey JXSVIVRDWWRQRT-VULHWTOISA-N.
Source: Pygenic acid B b
Chemical Info
| InChI | InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20?,21?,22-,23+,24?,26+,27?,28-,29-,30+/m1/s1 |
|---|---|
| SMILES | O(C(=O)[C@]12C(C([C@@]([H])(C([H])([H])[H])[C@]([H])(C([H])([H])[H])[C@@]1([H])C3=C(C([C@]4([H])[C@@]5(C([H])([H])[H])C([C@@]([H])(O[H])[C@@]([H])(O[H])[C@](C([H])([H])[H])(C(O[H])([H])[H])[C@]5([H])C(C([C@@]4(C([H])([H])[H])[C@]3(C([H])([H])[H])C(C2([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])[H])([H])[H])([H])[H])[H] |
| InChI Key | JXSVIVRDWWRQRT-VULHWTOISA-N |
| Molecular Formula | C30H48O5 |
| Exact Mass | 488.350 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 | da82033e-2f3e-42e5-928e-8555c06e4c23 |
| Package id | msbnk-bs-bs003144 |
| Resource type | HTML |
| State | active |