| SpectraBase Compound ID | GLr5Jj63hrD |
|---|---|
| InChI | InChI=1S/C28H32O9/c1-12(29)35-15-11-26(5)14(13-9-18(31)36-23(13)34)10-17-28(26,37-17)27(6)20(15)25(4)8-7-16(30)24(2,3)21(25)19(32)22(27)33/h7-9,14-15,17-18,20,31-32H,10-11H2,1-6H3/t14-,15-,17+,18?,20+,25+,26-,27-,28+/m0/s1 |
| InChIKey | RWNFUFVTXUCJQJ-DMIIKWFESA-N |
| Mol Weight | 512.6 g/mol |
| Molecular Formula | C28H32O9 |
| Exact Mass | 512.204633 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GmnnMcOuHfK |
|---|---|
| Name | 11.beta.-Acetoxy-walsuranolide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H32O9 |
| InChI | InChI=1S/C28H32O9/c1-12(29)35-15-11-26(5)14(13-9-18(31)36-23(13)34)10-17-28(26,37-17)27(6)20(15)25(4)8-7-16(30)24(2,3)21(25)19(32)22(27)33/h7-9,14-15,17-18,20,31-32H,10-11H2,1-6H3/t14-,15-,17+,18?,20+,25+,26-,27-,28+/m0/s1 |
| InChIKey | RWNFUFVTXUCJQJ-DMIIKWFESA-N |
| Molecular Weight | 512.555 g/mol |
| SMILES | OC=1C([C@]2([C@]34[C@]([C@](C5=CC(OC5=O)O)(C[C@]3(O4)[H])[H])(C[C@@]([C@@]2([C@@]2(C1C(C(C=C2)=O)(C)C)C)[H])(OC(=O)C)[H])C)C)=O |
| SPLASH | splash10-03di-2933130000-ebca8dd4486354c4da9f |
| Source of Spectrum | G4-63-950-4 |
| Wiley ID | 1608527 |