| SpectraBase Compound ID | 6J1eCe0sxW5 |
|---|---|
| InChI | InChI=1S/C37H66O6/c1-3-4-5-6-7-8-9-10-11-14-17-20-23-33(39)35-27-28-36(43-35)34(40)24-21-18-15-12-13-16-19-22-32(38)26-25-31-29-30(2)42-37(31)41/h14,17,29-30,32-36,38-40H,3-13,15-16,18-28H2,1-2H3/b17-14-/t30-,32+,33+,34+,35+,36+/m0/s1 |
| InChIKey | KQNMHWSOZBGQAZ-BCZYNKDESA-N |
| Mol Weight | 606.9 g/mol |
| Molecular Formula | C37H66O6 |
| Exact Mass | 606.48594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8lArPS3WLPL |
|---|---|
| Name | CALAMISTRIN-E |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H66O6 |
| InChI | InChI=1S/C37H66O6/c1-3-4-5-6-7-8-9-10-11-14-17-20-23-33(39)35-27-28-36(43-35)34(40)24-21-18-15-12-13-16-19-22-32(38)26-25-31-29-30(2)42-37(31)41/h14,17,29-30,32-36,38-40H,3-13,15-16,18-28H2,1-2H3/b17-14-/t30-,32+,33+,34+,35+,36+/m0/s1 |
| InChIKey | KQNMHWSOZBGQAZ-BCZYNKDESA-N |
| Literature Reference Author | G.X.ZHOU,R.Y.CHEN,Y.J.ZHANG,D.Q.YU |
| Literature Reference Citation | J.NAT.PROD.,63,1201(2000) |
| Literature Reference DOI | 10.1021/np000045d |
| Molecular Weight | 606.927 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWGE3822 |