| SpectraBase Compound ID | DIbKLBvtSEX |
|---|---|
| InChI | InChI=1S/C28H40O6/c1-15-5-10-26-12-11-25(4)24(3)9-6-16-23(2,8-7-18(30)27(16,32)14-29)20(24)19-21(33-19)28(25,17(26)13-15)34-22(26)31/h16-21,29-30,32H,1,5-14H2,2-4H3/t16?,17?,18-,19?,20?,21?,23-,24+,25-,26-,27+,28+/m0/s1 |
| InChIKey | QUSTXILFWOVTCK-ZRHQPKFFSA-N |
| Mol Weight | 472.6 g/mol |
| Molecular Formula | C28H40O6 |
| Exact Mass | 472.282489 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B6j5GFnv1TO |
|---|---|
| Name | Paeonenoide A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H40O6 |
| InChI | InChI=1S/C28H40O6/c1-15-5-10-26-12-11-25(4)24(3)9-6-16-23(2,8-7-18(30)27(16,32)14-29)20(24)19-21(33-19)28(25,17(26)13-15)34-22(26)31/h16-21,29-30,32H,1,5-14H2,2-4H3/t16?,17?,18-,19?,20?,21?,23-,24+,25-,26-,27+,28+/m0/s1 |
| InChIKey | QUSTXILFWOVTCK-ZRHQPKFFSA-N |
| Molecular Weight | 472.622 g/mol |
| SMILES | O[C@]1(CC[C@@]2(C3C4C([C@@]56[C@]([C@@]3(CCC2[C@@]1(CO)O)C)(CC[C@]1(C(O6)=O)C5CC(=C)CC1)C)O4)C)[H] |
| SPLASH | splash10-0006-2710900000-fc2025f123840a1f9e0a |
| Source of Spectrum | C-88-263-1 |
| Wiley ID | 1590132 |