| SpectraBase Compound ID | HF29EeWYWMm |
|---|---|
| InChI | InChI=1S/C32H45NO9/c1-6-33-15-29(16-38-2)21-11-19-26(33)32(21,23(40-4)12-22(29)34)20-13-31(37)24(41-5)14-30(19,36)25(20)27(31)42-28(35)17-7-9-18(39-3)10-8-17/h7-10,19-27,34,36-37H,6,11-16H2,1-5H3/t19-,20?,21+,22+,23-,24-,25?,26+,27+,29-,30-,31-,32+/m0/s1 |
| InChIKey | ASRBVBIKKAZQBW-OTWRFPGESA-N |
| Mol Weight | 587.7 g/mol |
| Molecular Formula | C32H45NO9 |
| Exact Mass | 587.309432 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IRlzj2UbEm8 |
|---|---|
| Name | CIRCINADINE-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H45NO9 |
| InChI | InChI=1S/C32H45NO9/c1-6-33-15-29(16-38-2)21-11-19-26(33)32(21,23(40-4)12-22(29)34)20-13-31(37)24(41-5)14-30(19,36)25(20)27(31)42-28(35)17-7-9-18(39-3)10-8-17/h7-10,19-27,34,36-37H,6,11-16H2,1-5H3/t19-,20?,21+,22+,23-,24-,25?,26+,27+,29-,30-,31-,32+/m0/s1 |
| InChIKey | ASRBVBIKKAZQBW-OTWRFPGESA-N |
| Literature Reference Author | F.GAO,D.L.CHEN,F.P.WANG |
| Literature Reference Citation | CHEM.PHARM.BULL.,54,117(2006) |
| Literature Reference DOI | 10.1248/cpb.54.117 |
| Molecular Weight | 587.711 g/mol |
| Sample ID | 46105 |
| Solvent | CDCl3 |