Pygenic acid C
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003153
Dataset description:
This MassBank record with Accession MSBNK-BS-BS003153 contains the MS2 mass spectrum of Pygenic acid C with the InChIkey NFPZOORPDJBGME-LCRJMXSQSA-N.
Source: Pygenic acid C
Chemical Info
| InChI | InChI=1S/C30H48O6/c1-16-9-12-30(25(35)36)14-13-27(4)18(21(30)17(16)2)7-8-20-28(27,5)11-10-19-26(3,15-31)23(33)22(32)24(34)29(19,20)6/h7,16-17,19-24,31-34H,8-15H2,1-6H3,(H,35,36)/t16-,17+,19+,20+,21+,22+,23-,24-,26-,27-,28-,29+,30+/m1/s1 |
|---|---|
| SMILES | [C@@H]1([C@H]([C@]([C@]2([C@]([C@@H]1O)([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 | NFPZOORPDJBGME-LCRJMXSQSA-N |
| Molecular Formula | C30H48O6 |
| Exact Mass | 504.345 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 | 8bd1d5ac-afee-4dda-9857-ce48617915db |
| Package id | msbnk-bs-bs003153 |
| Resource type | HTML |
| State | active |