| SpectraBase Compound ID | 3OZq7M6bwFW |
|---|---|
| InChI | InChI=1S/C22H28O6/c1-10-12-5-6-13-21(8-12,18(10)25)19(26)16(28-11(2)23)17-20(3,4)15-7-14(24)22(13,17)9-27-15/h12-13,15-18,25H,1,5-9H2,2-4H3/t12?,13-,15+,16?,17-,18?,21?,22-/m1/s1 |
| InChIKey | SIEAJAFUFUWEHX-FACVVPJJSA-N |
| Mol Weight | 388.46 g/mol |
| Molecular Formula | C22H28O6 |
| Exact Mass | 388.188589 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CIQ3W8fgCeV |
|---|---|
| Name | Maoecrystal U |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H28O6 |
| InChI | InChI=1S/C22H28O6/c1-10-12-5-6-13-21(8-12,18(10)25)19(26)16(28-11(2)23)17-20(3,4)15-7-14(24)22(13,17)9-27-15/h12-13,15-18,25H,1,5-9H2,2-4H3/t12?,13-,15+,16?,17-,18?,21?,22-/m1/s1 |
| InChIKey | SIEAJAFUFUWEHX-FACVVPJJSA-N |
| Molecular Weight | 388.460 g/mol |
| SMILES | OC1C23C(C(OC(=O)C)[C@]4([C@]5([C@@]3(CCC(C2)C1=C)[H])C(C[C@@](OC5)([H])C4(C)C)=O)[H])=O |
| SPLASH | splash10-0kyr-0596000000-8845199ad97084cca944 |
| Source of Spectrum | QA-48-366-1 |
| Wiley ID | 863452 |