| SpectraBase Compound ID | GsEreTciCOu |
|---|---|
| InChI | InChI=1S/C35H34O10/c1-38-30-26-28(25-22(36)18-24(20-14-10-7-11-15-20)43-29(25)32(30)40-3)45-35-21(16-17-23(44-35)19-12-8-6-9-13-19)27(37)31(39-2)33(41-4)34(26,35)42-5/h6-16,22-24,36H,17-18H2,1-5H3/t22?,23-,24-,34-,35-/m1/s1 |
| InChIKey | CAPJLGPKGOVWIU-WHVVXHIOSA-N |
| Mol Weight | 614.6 g/mol |
| Molecular Formula | C35H34O10 |
| Exact Mass | 614.215197 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FCkQVGjztOj |
|---|---|
| Name | NEOCALYCOPTERONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H34O10 |
| InChI | InChI=1S/C35H34O10/c1-38-30-26-28(25-22(36)18-24(20-14-10-7-11-15-20)43-29(25)32(30)40-3)45-35-21(16-17-23(44-35)19-12-8-6-9-13-19)27(37)31(39-2)33(41-4)34(26,35)42-5/h6-16,22-24,36H,17-18H2,1-5H3/t22?,23-,24-,34-,35-/m1/s1 |
| InChIKey | CAPJLGPKGOVWIU-WHVVXHIOSA-N |
| Literature Reference Author | R.MAYER |
| Literature Reference Citation | J.NAT.PROD.,62,1274(1999) |
| Literature Reference DOI | 10.1021/np990182e |
| Molecular Weight | 614.649 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP8657 |