| SpectraBase Compound ID | AvexsuzCefa |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-13(24)26-11-16-19-14-6-7-17-20(2,12-23)8-5-9-21(17,3)15(14)10-18(25)22(16,19)4/h14-17,19,23H,5-12H2,1-4H3/t14-,15+,16+,17+,19+,20-,21-,22+/m1/s1 |
| InChIKey | YEMYUZHZOZMLBB-IYTRMAQQSA-N |
| Mol Weight | 362.5 g/mol |
| Molecular Formula | C22H34O4 |
| Exact Mass | 362.24571 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FqW3GSKSXIh |
|---|---|
| Name | 18-hydroxy-16-acetoxy-12-oxocleistanthane |
| Alternate Name(s) | Chagresnone |
| Appearance | amorphous powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H34O4 |
| InChI | InChI=1S/C22H34O4/c1-13(24)26-11-16-19-14-6-7-17-20(2,12-23)8-5-9-21(17,3)15(14)10-18(25)22(16,19)4/h14-17,19,23H,5-12H2,1-4H3/t14-,15+,16+,17+,19+,20-,21-,22+/m1/s1 |
| InChIKey | YEMYUZHZOZMLBB-IYTRMAQQSA-N |
| Instrument Name | LRMS |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np049890c |
| Molecular Weight | 362.510 g/mol |
| Optical Rotation | [a]D24 = +47.8 (c = 0.23, CHCl3) |
| Reported Formula | C22H34O4 |
| SMILES | OC[C@@]1([C@]2([C@](CCC1)([C@@]1([C@@](CC2)([C@@]2([C@](C(C1)=O)([C@]2(COC(C)=O)[H])C)[H])[H])[H])C)[H])C |
| SPLASH | splash10-0udi-0219000000-cce292dd20255b985dff |
| Source of Spectrum | G4-67-1714-4 |
| Wiley ID | 1881561 |