Bassanolide
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000422
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000422 contains the MS2 mass spectrum of Bassanolide with the InChIkey QVZZPLDJERFENQ-NKTUOASPSA-N.
Source: Bassanolide
Chemical Info
| InChI | InChI=1S/C48H84N4O12/c1-25(2)21-33-45(57)61-38(30(11)12)42(54)50(18)35(23-27(5)6)47(59)63-40(32(15)16)44(56)52(20)36(24-28(7)8)48(60)64-39(31(13)14)43(55)51(19)34(22-26(3)4)46(58)62-37(29(9)10)41(53)49(33)17/h25-40H,21-24H2,1-20H3/t33-,34-,35-,36-,37+,38+,39+,40+/m0/s1 |
|---|---|
| SMILES | CC(C)C[C@H]1C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N1C)C(C)C)CC(C)C)C)C(C)C)CC(C)C)C)C(C)C)CC(C)C)C)C(C)C |
| InChI Key | QVZZPLDJERFENQ-NKTUOASPSA-N |
| Molecular Formula | C48H84N4O12 |
| Exact Mass | 908.609 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 | a40eba5a-15af-4fa6-a82f-a0abf2c760a7 |
| Package id | msbnk-aafc-ac000422 |
| Resource type | HTML |
| State | active |