| SpectraBase Compound ID | 1VPiHxCOMIh |
|---|---|
| InChI | InChI=1S/C37H68O6/c1-3-4-5-6-7-8-13-16-19-22-25-33(39)35-26-27-36(43-35)34(40)29-32(38)24-21-18-15-12-10-9-11-14-17-20-23-31-28-30(2)42-37(31)41/h28,30,32-36,38-40H,3-27,29H2,1-2H3/t30-,32-,33-,34+,35+,36+/m1/s1 |
| InChIKey | ADPAPZVYVYEBGS-ONSIIOFUSA-N |
| Mol Weight | 608.9 g/mol |
| Molecular Formula | C37H68O6 |
| Exact Mass | 608.50159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6seg90eWsrJ |
|---|---|
| Name | CALAMISTRIN-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H68O6 |
| InChI | InChI=1S/C37H68O6/c1-3-4-5-6-7-8-13-16-19-22-25-33(39)35-26-27-36(43-35)34(40)29-32(38)24-21-18-15-12-10-9-11-14-17-20-23-31-28-30(2)42-37(31)41/h28,30,32-36,38-40H,3-27,29H2,1-2H3/t30-,32-,33-,34+,35+,36+/m1/s1 |
| InChIKey | ADPAPZVYVYEBGS-ONSIIOFUSA-N |
| Literature Reference Author | G.X.ZHOU,L.E.ZHOU,R.Y.CHEN,D.Q.YU |
| Literature Reference Citation | J.NAT.PROD.,62,261(1999) |
| Literature Reference DOI | 10.1021/np980334q |
| Molecular Weight | 608.943 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWGE1311 |