Pygenic acid B a
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003164
Dataset description:
This MassBank record with Accession MSBNK-BS-BS003164 contains the MS2 mass spectrum of Pygenic acid B a with the InChIkey JXSVIVRDWWRQRT-UMCOSQRYSA-N.
Source: Pygenic acid B a
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 | [C@@H]1([C@H]([C@]([C@]2([C@](C1)([C@@]3([C@@](CC2)([C@]4(C(=CC3)[C@]5([C@@](CC4)(CC[C@H]([C@@H]5C)C)C(=O)O)[H])C)C)[H])C)[H])(C)CO)O)O |
| InChI Key | JXSVIVRDWWRQRT-UMCOSQRYSA-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 | 85b504f4-1754-4644-97a5-e40a73e7d52a |
| Package id | msbnk-bs-bs003164 |
| Resource type | HTML |
| State | active |