Andrastin C
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000896
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000896 contains the MS2 mass spectrum of Andrastin C with the InChIkey LBBHTACWNVOYKN-SNQWNFAUSA-N.
Source: Andrastin C
Chemical Info
| InChI | InChI=1S/C27H38O6/c1-14-13-18-24(6)11-10-19(33-16(3)28)23(4,5)17(24)9-12-25(18,7)27(22(31)32)21(30)15(2)20(29)26(14,27)8/h13,17-19,29H,9-12H2,1-8H3,(H,31,32)/t17-,18+,19+,24-,25+,26+,27-/m1/s1 |
|---|---|
| SMILES | CC1=C[C@H]2[C@@]3(CC[C@@H](C([C@H]3CC[C@@]2([C@]4([C@@]1(C(=C(C4=O)C)O)C)C(=O)O)C)(C)C)OC(=O)C)C |
| InChI Key | LBBHTACWNVOYKN-SNQWNFAUSA-N |
| Molecular Formula | C27H38O6 |
| Exact Mass | 458.267 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-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | 4a7c130d-0570-4b64-8288-3b03b5b21ed2 |
| Package id | msbnk-aafc-ac000896 |
| Resource type | HTML |
| State | active |