Spinosyn A
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU263505
Dataset description:
This MassBank record with Accession MSBNK-Athens_Univ-AU263505 contains the MS2 mass spectrum of Spinosyn A with the InChIkey SRJQTHAZUNRMPR-UYQKXTDMSA-N.
Source: Spinosyn A
Chemical Info
| InChI | InChI=1S/C41H65NO10/c1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,36+,38+,39-,40-,41+/m1/s1 |
|---|---|
| SMILES | [H][C@]1(C[C@@]2([H])C=C[C@@]3([H])[C@]4([H])CC(=O)O[C@@]([H])(CC)CCC[C@]([H])(O[C@@]5([H])CC[C@]([H])(N(C)C)[C@@]([H])(C)O5)[C@@]([H])(C)C(=O)C4=C[C@@]3([H])[C@]2([H])C1)O[C@]1([H])O[C@@]([H])(C)[C@]([H])(OC)[C@@]([H])(OC)[C@@]1([H])OC |
| InChI Key | SRJQTHAZUNRMPR-UYQKXTDMSA-N |
| Molecular Formula | C41H65NO10 |
| Exact Mass | 731.461 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 4.0 International (CC BY 4.0) |
| Id | b44a0474-d851-4fd1-b5d7-fa68418ca1cd |
| Package id | msbnk-athens_univ-au263505 |
| Resource type | HTML |
| State | active |