| SpectraBase Compound ID | 2GphWMfYno2 |
|---|---|
| InChI | InChI=1S/C22H36O3/c1-15(2)19-8-7-18-10-12-21(5,24)13-11-20(25-17(4)23)16(3)9-14-22(18,19)6/h9-10,12,15,18-20,24H,7-8,11,13-14H2,1-6H3/b12-10+,16-9-/t18-,19-,20-,21+,22-/m1/s1 |
| InChIKey | KZBAFHDIJTZFSN-TUGBDIOPSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C22H36O3 |
| Exact Mass | 348.266445 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2wf3CAytxDa |
|---|---|
| Name | SPHAEROLLANE-II |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H36O3 |
| InChI | InChI=1S/C22H36O3/c1-15(2)19-8-7-18-10-12-21(5,24)13-11-20(25-17(4)23)16(3)9-14-22(18,19)6/h9-10,12,15,18-20,24H,7-8,11,13-14H2,1-6H3/b12-10+,16-9-/t18-,19-,20-,21+,22-/m1/s1 |
| InChIKey | KZBAFHDIJTZFSN-TUGBDIOPSA-N |
| Literature Reference Author | V.SMYRNIOTOPOULOS,C.VAGIAS,V.ROUSSIS |
| Literature Reference Citation | MAR.DRUGS,7,184(2009) |
| Literature Reference DOI | 10.3390/md7020184 |
| Molecular Weight | 348.526 g/mol |
| Source File Reference | UWIR6303 |